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(benzylthio)acetic acid, methyl ester
SpectraBase Compound ID CktQYkAAtsR
InChI InChI=1S/C10H12O2S/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QQDHRVYAGDFBOI-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYW00KqLoQF
Name Acetic acid, (benzylthio)-, methyl ester
Alternate Name(s) Acetic acid, [(phenylmethyl)thio]-, methyl ester Methyl (benzylsulfanyl)acetate 2-(benzylthio)acetic acid methyl ester 2-(Phenylmethylthio)acetic acid methyl ester Methyl (benzylthio)acetate Methyl .alpha.-(benzylthio)acetate Methyl 2-(benzylthio)acetate Methyl 2-(phenylmethylsulfanyl)ethanoate Methyl 2-benzylsulfanylacetate Methyl S-benzylthioglycolate
CAS Registry Number 17277-59-7
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Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QQDHRVYAGDFBOI-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES c1ccc(cc1)CSCC(=O)OC
SPLASH splash10-006x-9800000000-9a0849fc53d12ed26b41
Source of Spectrum B-47-1641-0
Wiley ID 1192708