ACD/Labs红外和拉曼标准光谱数据库

ACD/Labs 光谱产品所涉及的红外拉曼光谱数据库

ACD/Labs Infrared and Raman Databases of Reference Spectra

Elsevier FT-Raman and FT-IR Polymer Database for ACD/Labs

This database includes pairs of IR and Raman spectra of 500 polymers and related materials provided with drawn structures, and substance/sample information collected in searchable User Data fields and Tables of Peaks.

NIST IR Database for ACD/Labs

This database contains gas-phase FT-IR absorption spectra for over 5200 organic compounds compiled by both the National Institute of Standards and Technology (NIST) and the Environmental Protection Agency (EPA). You can track the compounds by their chemical structure, molecular formula, CAS registry number, and chemical name.

Coblentz Society Special Collections for ACD/Labs

The Coblentz Society Special Collection of over 9500 IR spectra were digitized by NIST and have been converted to the ACD/Optical Workbook database format, allowing spectral or chemical structure searches, as well as providing capabilities to process, analyze, and interpret the vibrational patterns found in the hit.

For more information, visit the Coblentz Society

FDM FT-IR Databases for ACD/Labs

FDM FT-IR Spectra of Polymers and Polymer Additives

This database is an excellent reference of commonly-utilized polymers and polymer additives including plasticizers, catalysts, antioxidants, additives, UV absorbers, stabilizers, and other chemicals related to the production of polymer-based materials. The polymers include materials such as cellulose derivatives, common glues, EVA copolymers, polyethylenes, nylons, nitriles, acrylates and methacrylates, polypropylenes, and styrene/butadiene copolymers.

Polymer Chemical Name Index

FDM FT-IR Spectra of Surfactants

This database of the spectra of detergents, wetting agents, emulsifiers, and other surfactant materials includes clear, meaningful chemical names recognizable by analytical chemists, research chemists, process engineers, and regulators. Many spectra have HLB (Hydrophilic Lipophilic Balance) values listed with the chemical names. Several surveys of important families of compounds are included such as:

  • PEG 200-6000 mono[laurates, stearates, oleates, ricinoleates]
  • PEG 200-6000 di[laurates, stearates, oleates]
  • Pentaerythritols
  • Nonylphenols
  • Octylphenols
  • Lignosulfonates
  • Triethanolamines

The database also includes many surfactant materials formulated with oleates, palmitates, stearates, abietates, caprates, laurates, myristates, naphthenates, ricinoleates, sulfonates, glycols, amines, diamines, amides, diamides, ethanolamides, and many more.

Surfactant Chemical Name Index

FDM FT-IR Spectra of Minerals and Inorganic Compounds

Based on the original 130 spectra from the FDM FT-IR Spectra of Minerals, this expanded collection includes more mineral spectra and over 120 spectra of inorganic compounds. This excellent reference for analytical chemists and geologists alike contains basic inorganic materials and minerals used in the industry.

Minerals and Inorganic Chemical Name Index

FDM FT-IR Spectra of Organic Compounds

This database was designed for the industrial FT-IR user concerned with materials important to industrial processes, such as solvents and reagents, and basic organic chemicals. These high quality spectra are ideal as a general reference tool. Chemical classes represented included acids, esters, ethers, alcohols, alkanes, alkenes, amines, aldehydes, amides, anhydrides, lactones, thiols, ketones, benzenes, pyridenes, nitriles, and many more.

Organics Chemical Name Index

FT-IR Spectra of Drugs / Canadian Forensic Spectra

These spectra represent both free and HCl complexed forms of over-the-counter drugs, pharmaceuticals, controlled substances, intermediates, excipients, and fillers. It is ideal for Forensic FT-IR users and those in need of a database suitable for general reference in academic and industrial FT-IR labs.

Drug Chemical Name Index

FDM Raman Databases for ACD/Labs

FDM Raman Spectra of Organic Compounds

This database is an excellent reference of commonly-utilized organic compounds. It includes small organic compounds, amino acids, a number of dyes and over the counter pharmaceuticals, polymers, and even some inorganic compounds. The spectra were taken with a dispersive Raman instrument between 200 cm-1 to 2000 cm-1. Each spectrum was individually background subtracted to rationally and properly correct for even the toughest fluorescence background problems.

Chemical Name Index

FDM Raman Spectra of Drugs

These spectra for drug substances found in the United States Pharmacopoeia (USP) provide a valuable reference across a wide range of scientific disciplines. The spectra were taken with a dispersive Raman instrument between 200 cm-1 to 2000 cm-1. In most cases, the spectra were individually background subtracted to rationally and properly correct for even the toughest fluorescence background problems.

Drug Chemical Name Index

S.T. Japan FT-IR and Raman Databases for ACD/Labs

ATR/FTIR Aldrich-ICHEM Databases

Over 25,000 high-quality attenuated total reflectance infrared spectra of organic and inorganic compounds, as well as some polymers and industrial chemicals are available in this comprehensive database compiled by ICHEM through samples from Fine Chemical manufacturers in Japan, or by the Aldrich Chemical Company.

  • ATR/FTIR Aldrich® Database (18,513 spectra)
  • ATR/FTIR ICHEM Database (12,706 spectra)
  • ATR/FTIR Aldrich-ICHEM Package Database (27,552 spectra)
    • ATR/FTIR Aldrich-ICHEM: Volume 1
    • ATR/FTIR Aldrich-ICHEM: Volume 2
    • ATR/FTIR Aldrich-ICHEM Database Supplement

Application Libraries

  • ATR/FTIR Alcohols And Phenols Library
  • ATR/FTIR Aldehydes And Ketones Library
  • ATR/FTIR Biochemicals Library
  • ATR/FTIR Dyes, Pigments And Stains Library
  • ATR/FTIR Esters, Lactones And Anhydrides Library
  • ATR/FTIR Flavors, Fragrances And Cosmetic Ingredients Library
  • ATR/FTIR Food Additives And Food Packaging Library
  • ATR/FTIR Forensic Library
  • ATR/FTIR Hazardous And Toxic Chemicals Library
  • ATR/FTIR Hazardous Chemicals Library
  • ATR/FTIR High Production Volume (HPV) Chemicals Library
  • ATR/FTIR Hydrocarbons Library
  • ATR/FTIR Organometallics And Inorganics Library
  • ATR/FTIR Pesticides Library
  • ATR/FTIR Pharmaceuticals, Drugs & Antibiotics Library
  • ATR/FTIR Polymers And Polymer Additives Library
  • ATR/FTIR Semiconductor Chemicals Library
  • ATR/FTIR Solvents Library
  • ATR/FTIR Sulfur And Phosphorus Compounds Library

For more details, visit the S.T. Japan site.

Hummel Polymer and Surfactants IR Databases

The Hummel spectral collections contain approximately 8000 spectra of surfactants, monomers, polymers, elastomers, and polymer-related materials. These high quality FT-IR spectra were measured by Prof. Dieter O. Hummel, Institute of Physical Chemistry, Univ. of Köln, Germany, and are delivered with extensive sample information.

Hummel Polymer and Surfactants IR Databases

SDBS FT-IR Spectra Databases

The SDBS FT-IR database is one of the world's largest and highest-quality FT-IR databases with over 50,000 spectra. The FT-IR transmission data was prepared by Japanese National Laboratories, employing rigorous procedures and sample preparation methods using either KBr, Nujol, or Liquid Film. Spectral quality was continuously checked by expert spectroscopists. To ensure that the database contains the highest purity standard samples, each sample was cross-validated by NMR and MS techniques. The database also includes polymers and commercial samples such as packaging materials and plasticizers.

  • FTIR KBr Databases (21,140 spectra)
  • FTIR KBr Databases (vol.1) (10,000 spectra)
  • FTIR KBr Databases (vol.2) (11,140 spectra)
  • FTIR Nujol Databases (20,571 spectra)
  • FTIR Nujol Databases (vol.1) (10,000 spectra)
  • FTIR Nujol Databases (vol.2) (10,571 spectra)
  • FTIR SDBS Liquid Film Database (6718 spectra)

Application Libraries

  • Alcohols and Phenols Library
  • Aldehydes and Ketones Library
  • Biochemicals Library
  • Dyes, Pigments and Stains Library
  • Esters, Lactones and Anhydrides Library
  • Flavors, Fragrances and Cosmetic Ingredients Library
  • Food Additives and Food Packaging Library
  • Forensic Library
  • Hazardous and Toxic Chemicals Library
  • Hazardous Chemicals Library
  • High Production Volume Chemicals Library
  • Hydrocarbons Library
  • Organometallics and Inorganics Library
  • Pesticides Library
  • Pharmaceuticals, Drugs & Antibiotics Library
  • Polymer and Polymer Additives
  • Semiconductor Chemicals Library
  • Solvents Library
  • Sulfur and Phosphorus Library

Raman ICHEM Database for ACD/Labs

The Raman database is composed of 4000 spectra measured by the National Japanese Laboratory or obtained from the S.T. Japan ICHEM library. Like the SDBS FT-IR effort, the Raman databases were expertly obtained through rigorous methodology and use only the highest sample purity standards. The Raman database also includes polymers and commercial samples.

Application Libraries

  • Alcohols and Phenols Library
  • Aldehydes and Ketones Library
  • Biochemicals Library
  • Dyes, Pigments and Stains Library
  • Esters, Lactones and Anhydrides Library
  • Flavors, Fragrances and Cosmetic Ingredients Library
  • Food Additives and Food Packaging Library
  • Forensic Library
  • Hazardous and Toxic Chemicals Library
  • Hazardous Chemicals Library
  • Hazardous, Toxic Pesticides, and Pollutants Library
  • Hydrocarbons Library
  • Pesticides Library
  • Pharmaceuticals, Drugs & Antibiotics Library
  • Polymer and Polymer Additives
  • Semiconductor Chemicals Library
  • Solvents Library
  • Sulfur and Phosphorus Library

For more details, visit the S.T. Japan site.