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PREGN-4-ENE-3-ONE
SpectraBase Compound ID 3uEYuCYtCT6
InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h13-14,17-19H,4-12H2,1-3H3
InChIKey AYGFEWYXKDFVIQ-UHFFFAOYSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgYdcGyaOvH
Name PREGN-4-ENE-3-ONE
Alternate Name(s) PREGN-4-EN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h13-14,17-19H,4-12H2,1-3H3
InChIKey AYGFEWYXKDFVIQ-UHFFFAOYSA-N
Nominal Mass 300 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(=O)C=C2CCC2C1CCC1(C2CCC1CC)C
SPLASH splash10-0kor-6922000000-2b3ac8282a52201af577
Source File Reference LMCM-66305-262M
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany