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Benzenemethanesulfinothioic acid, S-phenyl ester
SpectraBase Compound ID 4cL5mW6jYgz
InChI InChI=1S/C13H12OS2/c14-16(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey JBXLIWMGQOYLRF-UHFFFAOYSA-N
Mol Weight 248.36 g/mol
Molecular Formula C13H12OS2
Exact Mass 248.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyPr7W6UtOh
Name Benzenemethanesulfinothioic acid, S-phenyl ester
CAS Registry Number 78609-87-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS2
InChI InChI=1S/C13H12OS2/c14-16(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey JBXLIWMGQOYLRF-UHFFFAOYSA-N
Molecular Weight 248.358 g/mol
SMILES c1(SS(=O)Cc2ccccc2)ccccc1
SPLASH splash10-0006-9000000000-052509c52ae5a1229a04
Source of Spectrum O-17-117-2
Synonyms Phenylsulfanylsulfinylmethylbenzene
Wiley ID 1250845