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(1S,2R)-3-(methylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
SpectraBase Compound ID 28AdMP8Yqr
InChI InChI=1S/C8H12O2S/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,7-10H,5H2,1H3/t7-,8+/m0/s1
InChIKey XLOVAHUVRUZIQW-JGVFFNPUSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3o9ClvJujep
Name (1S,2R)-3-(methylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,7-10H,5H2,1H3/t7-,8+/m0/s1
InChIKey XLOVAHUVRUZIQW-JGVFFNPUSA-N
Molecular Weight 172.242 g/mol
SMILES O[C@]1(C=CC=C([C@]1(O)[H])CSC)[H]
SPLASH splash10-00di-0900000000-8032c3befbf3bf7e9308
Source of Spectrum KC-0-1348-2
Synonyms (1S,2R)-3-[(methylthio)methyl]cyclohexa-3,5-diene-1,2-diol
Wiley ID 830595