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1,4-Androstadien-3,17-dione
SpectraBase Compound ID 4CXkYybt770
InChI InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey LUJVUUWNAPIQQI-QAGGRKNESA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDluVZeTcTm
Name ANDROSTA-1,4-DIENE-3,17-DIONE
CAS Registry Number 897-06-3
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.177630011 u
Formula C19H24O2
InChI InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey LUJVUUWNAPIQQI-QAGGRKNESA-N
Molecular Weight 284.399 g/mol
Nominal Mass 284 u
Number of Peaks 146
SMILES C1(C=C[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCC2=C1)[H])[H])=O)C)[H])C)=O
SPLASH splash10-00di-3910000000-925deea9a42c9c10783f
Source File Reference LMCM-24898-576X
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms (+)-ANDROSTA-1,4-DIENE-3,17-DIONE (1S,2R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,6-diene-5,14-dione
Wiley ID 8_26742