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Benzene, [[2-bromo-3-chloro-1-(chloromethyl)propyl]thio]-, (R*,S*)-
SpectraBase Compound ID 2RsBbTTcjzW
InChI InChI=1S/C10H11BrCl2S/c11-9(6-12)10(7-13)14-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1
InChIKey HGOUHKACMQGEDW-UWVGGRQHSA-N
Mol Weight 314.07 g/mol
Molecular Formula C10H11BrCl2S
Exact Mass 311.91419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uAasK7r8IF
Name Benzene, [[2-bromo-3-chloro-1-(chloromethyl)propyl]thio]-, (R*,S*)-
Alternate Name(s) (1S,2R)-2-bromo-3-chloro-1-(chloromethyl)propyl phenyl sulfide Threo-1,4-dichloro-2-bromo-3-(phenythio)butane {[(1S,2R)-2-bromo-3-chloro-1-(chloromethyl)propyl]sulfanyl}benzene
CAS Registry Number 85335-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11BrCl2S
InChI InChI=1S/C10H11BrCl2S/c11-9(6-12)10(7-13)14-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m0/s1
InChIKey HGOUHKACMQGEDW-UWVGGRQHSA-N
Molecular Weight 314.068 g/mol
SMILES [C@](Sc1ccccc1)([C@@](Br)(CCl)[H])(CCl)[H]
SPLASH splash10-000i-0930000000-32daa345abccb7d50fa4
Source of Spectrum J-50-4259-0
Wiley ID 1312812