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Pregna-3,5-dien-20-one
SpectraBase Compound ID C4b7ehdEERJ
InChI InChI=1S/C21H30O/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/h4,6-7,16-19H,5,8-13H2,1-3H3
InChIKey YXRFQWKNFFQPAQ-UHFFFAOYSA-N
Mol Weight 298.47 g/mol
Molecular Formula C21H30O
Exact Mass 298.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gfn74NQfgm2
Name PREGN-3,5-DIENE-20-ONE
Alternate Name(s) PREGNA-3,5-DIEN-20-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O
InChI InChI=1S/C21H30O/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/h4,6-7,16-19H,5,8-13H2,1-3H3
InChIKey YXRFQWKNFFQPAQ-UHFFFAOYSA-N
Nominal Mass 298 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CC=C4C3(C)CCC=C4)C2CCC1C(C)=O
SPLASH splash10-0005-8950000000-69878f5e6a6a62b6d789
Source File Reference LMCM-61738-106S
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany