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(1S,2R)-3-Bromo-6-(methylsulanyl)cyclohexa-3,5-diene-1,2-diol
SpectraBase Compound ID GmLZjb8HZe
InChI InChI=1S/C7H9BrO2S/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,6-7,9-10H,1H3/t6-,7+/m0/s1
InChIKey QMQGMFPGYWZTMH-NKWVEPMBSA-N
Mol Weight 237.11 g/mol
Molecular Formula C7H9BrO2S
Exact Mass 235.950664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fe1X85oPxK7
Name (1S,2R)-3-Bromo-6-(methylsulanyl)cyclohexa-3,5-diene-1,2-diol
Alternate Name(s) (1S,2R)-3-bromanyl-6-methylsulfanyl-cyclohexa-3,5-diene-1,2-diol (1S,2R)-3-bromo-6-methylsulfanylcyclohexa-3,5-diene-1,2-diol (1S,2R)-3-bromo-6-(methylthio)cyclohexa-3,5-diene-1,2-diol (1S,2R)-3-bromo-6-methylsulfanyl-cyclohexa-3,5-diene-1,2-diol
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Formula C7H9BrO2S
InChI InChI=1S/C7H9BrO2S/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,6-7,9-10H,1H3/t6-,7+/m0/s1
InChIKey QMQGMFPGYWZTMH-NKWVEPMBSA-N
Molecular Weight 237.111 g/mol
SMILES O[C@@]1([C@@](C(=CC=C1Br)SC)(O)[H])[H]
SPLASH splash10-0601-1390000000-3eec86ce867dda7acb06
Source of Spectrum KD-15-2835-2
Wiley ID 1637211