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3-OXO-ANDROST-4-ENE-17,3-CARBOXYLIC ACID
SpectraBase Compound ID BtcZzzUErwT
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)
InChIKey YQACAXHKQZCEOI-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmiMD9pwMad
Name 3-OXO-ANDROST-4-ENE-17,3-CARBOXYLIC ACID
Alternate Name(s) 3-OXOANDROST-4-ENE-17-CARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)
InChIKey YQACAXHKQZCEOI-UHFFFAOYSA-N
Nominal Mass 316 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC=4C3(C)CCC(=O)C4)C2CCC1C(O)=O
SPLASH splash10-00dl-8932000000-8ae72210393435396350
Source File Reference LMCM-59737-605E
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany