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Benzene, [(3-bromo-2-methylpropyl)thio]-, (S)-
SpectraBase Compound ID 7jgQ1sJxSDV
InChI InChI=1S/C10H13BrS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKey MDLIBZVLOURDCL-SECBINFHSA-N
Mol Weight 245.18 g/mol
Molecular Formula C10H13BrS
Exact Mass 243.992135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOPCDdLojIx
Name Benzene, [(3-bromo-2-methylpropyl)thio]-, (S)-
CAS Registry Number 112995-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13BrS
InChI InChI=1S/C10H13BrS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKey MDLIBZVLOURDCL-SECBINFHSA-N
Molecular Weight 245.178 g/mol
SMILES C(Sc1ccccc1)[C@@](CBr)(C)[H]
SPLASH splash10-004i-9100000000-e64f4267311952e06d0c
Source of Spectrum KC-1987-1629-10
Synonyms (2S)-3-bromo-2-methylpropyl phenyl sulfide (S)-2-methyl-3-phenylthiopropyl bromide {[(2S)-3-bromo-2-methylpropyl]sulfanyl}benzene
Wiley ID 1246554