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5-(2-Hydroxymethylphenylthio)penten-3,4-diol
SpectraBase Compound ID BtJEnW27fEm
InChI InChI=1S/C12H16O3S/c1-2-10(14)11(15)8-16-12-6-4-3-5-9(12)7-13/h2-6,10-11,13-15H,1,7-8H2/t10-,11+/m0/s1
InChIKey IRXJMUZXJNDTAN-WDEREUQCSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 572oh4NlnMI
Name 5-(2-Hydroxymethylphenylthio)penten-3,4-diol
Alternate Name(s) (2S,3S)-1-(2-Hydroxymethyl-phenylsulfanyl)-pent-4-ene-2,3-diol 1,2-Dideoxy-5-S-[2-(hydroxymethyl)phenyl]-5-thiopent-1-enitol
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Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-2-10(14)11(15)8-16-12-6-4-3-5-9(12)7-13/h2-6,10-11,13-15H,1,7-8H2/t10-,11+/m0/s1
InChIKey IRXJMUZXJNDTAN-WDEREUQCSA-N
Molecular Weight 240.317 g/mol
SMILES OCc1c(SC[C@]([C@](C=C)(O)[H])(O)[H])cccc1
SPLASH splash10-000i-0900000000-36812180ad44d93a03ca
Source of Spectrum QC-4-1535-3
Wiley ID 883395