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D,L-(ethylthio)[(thiobenzoyl)thio]acetic acid
SpectraBase Compound ID A0GpN2vVkvG
InChI InChI=1S/C11H12O2S3/c1-2-15-11(9(12)13)16-10(14)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3,(H,12,13)
InChIKey YANAJMAUMBMLPY-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C11H12O2S3
Exact Mass 271.999943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQsLunwvux5
Name D,L-(ethylthio)[(thiobenzoyl)thio]acetic acid
Alternate Name(s) (benzothioylsulfanyl)(ethylsulfanyl)acetic acid
CAS Registry Number 106064-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S3
InChI InChI=1S/C11H12O2S3/c1-2-15-11(9(12)13)16-10(14)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3,(H,12,13)
InChIKey YANAJMAUMBMLPY-UHFFFAOYSA-N
Molecular Weight 272.395 g/mol
SMILES OC(C(SC(=S)c1ccccc1)SCC)=O
SPLASH splash10-00fr-4900000000-2f0b2a03eedcc01f261f
Source of Spectrum K-120-417-8
Wiley ID 1275694