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Androst-4-en-3-one
SpectraBase Compound ID 75sPtXMM1eV
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
InChIKey MSEZLHAVPJYYIQ-VMXHOPILSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nOszLX5MpT
Name ANDROST-4-ENE-3-ONE
CAS Registry Number 2872-90-4
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 272.214015521 u
Formula C19H28O
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
InChIKey MSEZLHAVPJYYIQ-VMXHOPILSA-N
Molecular Weight 272.432 g/mol
Nominal Mass 272 u
Number of Peaks 64
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCC2=C1)[H])[H])C)[H])C)=O
SPLASH splash10-00di-7940000000-5679faaf608a563fae26
Source File Reference LMCM-96134-418P
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROST-4-EN-3-ONE (8S,9S,10R,13S,14S)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_334