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Pregn-2-en-20-one, (5.alpha.)-

View entire compound with spectra: 1 NMR, and 1 FTIR

Pregn-2-en-20-one, (5.alpha.)-
SpectraBase Compound ID 5XPvZ6jYtrI
InChI InChI=1S/C21H32O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h4-5,15-19H,6-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey PERPPAKFLWZECF-QYYVTAPASA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6jA9NFp8yVW
Name Pregn-2-en-20-one, (5.alpha.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.245315649 u
Formula C21H32O
InChI InChI=1S/C21H32O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h4-5,15-19H,6-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey PERPPAKFLWZECF-QYYVTAPASA-N
SMILES C1=CC[C@@]2(C)[C@](C1)(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(C(C)=O)[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929403