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20-Carbonitrilepregn-4-en-3-one

View entire compound with spectra: 1 MS (GC)

20-Carbonitrilepregn-4-en-3-one
SpectraBase Compound ID GRUfYYeevuU
InChI InChI=1S/C22H31NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20H,4-11H2,1-3H3
InChIKey PLXBBKZSBILMTD-UHFFFAOYSA-N
Mol Weight 325.5 g/mol
Molecular Formula C22H31NO
Exact Mass 325.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuBEYLOeCch
Name 20-Carbonitrilepregn-4-en-3-one
CAS Registry Number 58462-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO
InChI InChI=1S/C22H31NO/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20H,4-11H2,1-3H3
InChIKey PLXBBKZSBILMTD-UHFFFAOYSA-N
Molecular Weight 325.496 g/mol
SMILES C12(C(C3CCC=4C(C3CC2)(CCC(=O)C4)C)CCC1C(C#N)C)C
SPLASH splash10-00c0-0896000000-366710e734c23ee893e8
Source of Spectrum J-41-1874-8
Wiley ID 1324239