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NIST/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35

Metadata Updated: July 29, 2022

This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the JCAMP-DX (Joint Committee for Atomic and Molecular Physical Data 'Data Exchange') format. Chemical structures are provided in the MOL-file format. The IR data originated from two sources, from the so-called 'EPA Vapor-Phase IR Library' and from NIST laboratories. The data have been sub-divided in two ways: 1) as concatenated JCAMP and SDF files (concatenated MOL-files) and 2) in individual files where each spectrum and structure is provided in a separate JCAMP and MOL file, using file names containing the CAS registry number of the compound. Important Note: All spectra were measured in the gas phase by GC/IR (gas chromatography/infrared spectroscopy), hence concentrations in the IR cell are not known or estimable. Molar absorption coefficients are not reported. This data provides only relative absorption coefficients as a function of wavelength which can be used for identification, not quantification.

Access & Use Information

Public: This dataset is intended for public access and use. License: See this page for license information.

Downloads & Resources

References

http://www.nist.gov/srd/upload/35_204jcmp-revised.pdf

Dates

Metadata Created Date March 11, 2021
Metadata Updated Date July 29, 2022
Data Update Frequency irregular

Metadata Source

Harvested from NIST

Additional Metadata

Resource Type Dataset
Metadata Created Date March 11, 2021
Metadata Updated Date July 29, 2022
Publisher National Institute of Standards and Technology
Maintainer
Identifier ECBCC1C130252ED9E04306570681B10743
Language en
Data Last Modified 2004-12-01 00:00:00
Rights This is a paid resource. Pricing depends on number of copies purchased. For information on Distributor Agreements please contact data@nist.gov.
Category Physics:Spectroscopy, Standards:Reference data, Physics:Atomic, molecular, and quantum
Public Access Level public
Data Update Frequency irregular
Bureau Code 006:55
Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
Schema Version https://project-open-data.cio.gov/v1.1/schema
Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
Harvest Object Id 67e65410-0778-4799-bf7a-625e2ec8cf71
Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
Harvest Source Title NIST
Homepage URL https://www.nist.gov/srd/nist-standard-reference-database-35
License https://www.nist.gov/open/license
Program Code 006:052
Related Documents http://www.nist.gov/srd/upload/35_204jcmp-revised.pdf
Source Datajson Identifier True
Source Hash 6790ccb00da30e02ede92849c83b43e1e0b4c800
Source Schema Version 1.1

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