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(1S,2R,3R,6S)-6-(Phenylthio)cyclohex-4-ene-1,2,3-triol
SpectraBase Compound ID JQH5Vm425RP
InChI InChI=1S/C12H14O3S/c13-9-6-7-10(12(15)11(9)14)16-8-4-2-1-3-5-8/h1-7,9-15H/t9-,10+,11-,12-/m1/s1
InChIKey HWPOBHQPJOCBBK-WRWGMCAJSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfuPgNsmttr
Name (1S,2R,3R,6S)-6-(Phenylthio)cyclohex-4-ene-1,2,3-triol
Alternate Name(s) (1S,2R,3R,6S)-6-phenylsulfanylcyclohex-4-ene-1,2,3-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c13-9-6-7-10(12(15)11(9)14)16-8-4-2-1-3-5-8/h1-7,9-15H/t9-,10+,11-,12-/m1/s1
InChIKey HWPOBHQPJOCBBK-WRWGMCAJSA-N
Molecular Weight 238.301 g/mol
SMILES O[C@@]1(C=C[C@@]([C@]([C@@]1(O)[H])(O)[H])(Sc1ccccc1)[H])[H]
SPLASH splash10-03di-8910000000-86186a14916fe38834eb
Source of Spectrum QC-17-477-8
Wiley ID 1638075