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3-Bromoandrostane
SpectraBase Compound ID 3mAG0tYN7vE
InChI InChI=1S/C19H31Br/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17H,3-12H2,1-2H3/t13?,14?,15-,16-,17-,18-,19-/m0/s1
InChIKey BJTCHUWBZZQPHW-YOGASKKMSA-N
Mol Weight 339.36 g/mol
Molecular Formula C19H31Br
Exact Mass 338.160914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IAhPxDzQCz
Name 3-BROMOANDROSTANE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 338.160913998 u
Formula C19H31Br
InChI InChI=1S/C19H31Br/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17H,3-12H2,1-2H3/t13?,14?,15-,16-,17-,18-,19-/m0/s1
InChIKey BJTCHUWBZZQPHW-YOGASKKMSA-N
Molecular Weight 339.361 g/mol
Nominal Mass 338 u
Number of Peaks 242
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCC2C1)[H])[H])C)[H])C)Br
SPLASH splash10-052e-9753000000-c3bdb04be9b3010ca74c
Source File Reference LMCM-31932-941G
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (1S,2S,10S,11S,15S)-5-bromo-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane
Wiley ID 8_11310