Pregnenolone carbonitrile
Compound with spectra: 2 FTIR, 1 Raman, and 1 MS (GC)
| SpectraBase Compound ID | FAqHVDcVBau |
|---|---|
| InChI | InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey | VSBHRRMYCDQLJF-ZDNYCOCVSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C22H31NO2 |
| Exact Mass | 341.235479 g/mol |
| Enantiomer InChIKey | VSBHRRMYCDQLJF-BYYAVVGHSA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | Q4360-000 |
| Technique | KBr1 0.58mg |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | Q4360-000 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | Q4360-000 |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Biologically and Environmentally Important Organic Compounds: GCMS Library |
- 5-Pregnen-16α-cyano-3β-ol-20-one
Pregnelone carbonitrile, mono-TMS
(3beta,16alpha)-3-(cyclopentyloxy)-20-oxopregn-5-ene-16-carbonitrile
Pregn-5-en-20-one, 3-hydroxy-16-methyl-, (3.beta.,16.alpha.)-
Trimethylsily derivative of 16.alpha.-methyl-3.beta.-hydroxypregn-5-en-20-one
3β-hydroxy-16β-methylpregn-5-en-20-one, acetate
16-ALPHA-METHYL-PREGNENOLONE
3beta-Hydroxy-17alpha-pregn-5-en-21,16alpha-carbolactone
3-BETA-HYDROXYERGOSTA-5,24(28)-DIEN-16-ONE
3β-hydroxyandrost-5-eno[17,16-b]furan-5'-one
Cholest-5-ene-3,16,22,26-tetrol
NIST/EPA/NIH Mass Spectral Library 2020
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
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The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Biologically and Environmentally Important Organic Compounds: GCMS Library
Author: Valery A. Isidorov
This library features mass spectra for biologically and environmentally important organic compounds in the form of their trimethylsilyl derivatives (TMS), along with their TMS linear temperature programmed chromatographic retention indices. Learn more.