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Androst-2-ene
SpectraBase Compound ID FICqlox5D5j
InChI InChI=1S/C19H30/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h3-4,14-17H,5-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
InChIKey NTDNQJMXFXTZLE-FZFXZXLVSA-N
Mol Weight 258.45 g/mol
Molecular Formula C19H30
Exact Mass 258.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ke7iZj7TmkF
Name ANDROST-2-ENE
CAS Registry Number 40061-86-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 258.234750966 u
Formula C19H30
InChI InChI=1S/C19H30/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h3-4,14-17H,5-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
InChIKey NTDNQJMXFXTZLE-FZFXZXLVSA-N
Molecular Weight 258.449 g/mol
Nominal Mass 258 u
Number of Peaks 176
SMILES C1=CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCC2C1)[H])[H])C)[H])C
SPLASH splash10-0zic-6960000000-51e9c3189749e679124b
Source File Reference LMCM-44645-727H
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (1S,2S,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-4-ene 10,13-DIMETHYL-4,5,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE
Wiley ID 8_15483