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Androsta-1,4,9(11)-triene-3,17-dione
SpectraBase Compound ID GItW2sM5olY
InChI InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7-9,11,14-15H,3-6,10H2,1-2H3
InChIKey NNPWVPDIRNJLIN-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Q32lNaW7IM
Name ANDROSTA-1,4,9(11)-TRIENE-3,17-DIONE
CAS Registry Number 15375-21-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7-9,11,14-15H,3-6,10H2,1-2H3
InChIKey NNPWVPDIRNJLIN-UHFFFAOYSA-N
Nominal Mass 282 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12=CCC3(C(CCC3=O)C1CCC1=CC(C=CC21C)=O)C
SPLASH splash10-001i-1390000000-c5b6ad73894ae531e719
Source File Reference LMCM-58502-489M
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany