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Androsta-1,4-diene-3,11,17-trione
SpectraBase Compound ID IJTFw8Gri24
InChI InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3
InChIKey RZACPWSZIQKVDY-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETpl0Cz03At
Name ANDROSTA-1,4-DIENE-3,11,17-TRIONE
CAS Registry Number 7738-93-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3
InChIKey RZACPWSZIQKVDY-UHFFFAOYSA-N
Nominal Mass 298 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC12C=CC(=O)C=C2CCC2C3CCC(C3(CC(=O)C12)C)=O
SPLASH splash10-0005-6970000000-ffe60112ca22c5da6c53
Source File Reference LMCM-59679-760Q
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany