Data provided by National Institute of Standards and Technology
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.
About this Dataset
Updated: 2024-02-22
Metadata Last Updated:
2004-12-01 00:00:00
Date Created:
N/A
Views:
Data Provided by:
Joint Committee for Atomic and Molecular Physical Data
Dataset Owner:
N/A
| Title | NIST/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35 |
|---|---|
| Description | 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. |
| Modified | 2004-12-01 00:00:00 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:stephen.stein@nist.gov |
| Keywords | Joint Committee for Atomic and Molecular Physical Data , absorption spectra , chemical structures , gas phases , gases , infra red , infrared spectra , mass spectra , mass spectrometry , molecular spectroscopy , molecular vibrations , physics , spectra , spectroscopy , structural data , structures , vapor phase infrared |
{
"identifier": "ECBCC1C130252ED9E04306570681B10743",
"accessLevel": "public",
"references": [
"http:\/\/www.nist.gov\/srd\/upload\/35_204jcmp-revised.pdf"
],
"contactPoint": {
"hasEmail": "mailto:stephen.stein@nist.gov",
"@type": "vcard:Contact",
"fn": "Stephen E. Stein"
},
"programCode": [
"006:052"
],
"@type": "dcat:Dataset",
"landingPage": "https:\/\/www.nist.gov\/srd\/nist-standard-reference-database-35",
"description": "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.",
"language": [
"en"
],
"title": "NIST\/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35",
"distribution": [
{
"accessURL": "https:\/\/dx.doi.org\/10.18434\/T45K5N",
"format": "text\/html",
"description": "DOI Access to NIST\/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35",
"mediaType": "text\/html",
"title": "DOI Access to NIST\/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35"
}
],
"license": "https:\/\/www.nist.gov\/open\/license",
"bureauCode": [
"006:55"
],
"rights": "This is a paid resource. Pricing depends on number of copies purchased. For information on Distributor Agreements please contact data@nist.gov.",
"modified": "2004-12-01 00:00:00",
"publisher": {
"@type": "org:Organization",
"name": "National Institute of Standards and Technology"
},
"accrualPeriodicity": "irregular",
"theme": [
"Physics:Spectroscopy",
"Standards:Reference data",
"Physics:Atomic, molecular, and quantum"
],
"keyword": [
"Joint Committee for Atomic and Molecular Physical Data",
"absorption spectra",
"chemical structures",
"gas phases",
"gases",
"infra red",
"infrared spectra",
"mass spectra",
"mass spectrometry",
"molecular spectroscopy",
"molecular vibrations",
"physics",
"spectra",
"spectroscopy",
"structural data",
"structures",
"vapor phase infrared"
]
}
