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mercaptoacetic acid, dithiobenzoate
SpectraBase Compound ID HADWmgIHkae
InChI InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey XBEIANFIOZTEDE-UHFFFAOYSA-N
Mol Weight 212.28 g/mol
Molecular Formula C9H8O2S2
Exact Mass 211.996572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9opAZsQHV7
Name Acetic acid, [(phenylthioxomethyl)thio]-
Alternate Name(s) (Benzothioylsulfanyl)acetic acid ((Phenylthioxomethyl)thio)acetic acid 2-(benzenecarbonothioylsulfanyl)acetic acid 2-(benzenecarbonothioylsulfanyl)ethanoic acid 2-(benzenecarbonothioylthio)acetic acid Benzoic acid, dithio-, carboxymethyl ester Benzoic acid, dithio-, ester with mercaptoacetic acid Carboxymethyl dithiobenzoate S-(Thiobenzoyl)thioglycolic acid Thiobenzoyl thioglycolate Thiobenzoylthioacetic acid EINECS 213-393-0
CAS Registry Number 942-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2S2
InChI InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey XBEIANFIOZTEDE-UHFFFAOYSA-N
Molecular Weight 212.281 g/mol
SMILES OC(CSC(=S)c1ccccc1)=O
SPLASH splash10-00di-8910000000-3eacf3d21ca4085aeaa6
Source of Spectrum W5-17327-0-0
Wiley ID 1210849