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(1S,2S)-1,2-Dihydroxy-3-(methylthio)-4-chlorocyclohexa-3,5-diene
SpectraBase Compound ID K3BDKusITU2
InChI InChI=1S/C7H9ClO2S/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3,5-6,9-10H,1H3/t5-,6-/m0/s1
InChIKey LLDQUJOOGAVVHB-WDSKDSINSA-N
Mol Weight 192.66 g/mol
Molecular Formula C7H9ClO2S
Exact Mass 192.001178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iAWSJ2wODj
Name (1S,2S)-1,2-Dihydroxy-3-(methylthio)-4-chlorocyclohexa-3,5-diene
Alternate Name(s) (1S,2S)-4-chloro-3-(methylthio)cyclohexa-3,5-diene-1,2-diol (1S,2S)-4-chloro-3-methylsulfanylcyclohexa-3,5-diene-1,2-diol (1S,2S)-4-chloro-3-methylsulfanyl-cyclohexa-3,5-diene-1,2-diol (1S,2S)-4-chloranyl-3-methylsulfanyl-cyclohexa-3,5-diene-1,2-diol
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Formula C7H9ClO2S
InChI InChI=1S/C7H9ClO2S/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3,5-6,9-10H,1H3/t5-,6-/m0/s1
InChIKey LLDQUJOOGAVVHB-WDSKDSINSA-N
Molecular Weight 192.660 g/mol
SMILES O[C@]1(C=CC(=C([C@]1(O)[H])SC)Cl)[H]
SPLASH splash10-05gi-0900000000-e685737caeffe65cab6a
Source of Spectrum F5-2-2536-32
Wiley ID 1732034