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D,L-[(t-butylthio)[thioxomethylthio]phenylacetic acid
SpectraBase Compound ID 2LVTNuVt6SZ
InChI InChI=1S/C13H16O2S3/c1-13(2,3)18-12(16)17-10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey DAXLZJZHPQKQGE-UHFFFAOYSA-N
Mol Weight 300.45 g/mol
Molecular Formula C13H16O2S3
Exact Mass 300.031243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fVhO5piplW
Name D,L-[(t-butylthio)[thioxomethylthio]phenylacetic acid
CAS Registry Number 106064-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S3
InChI InChI=1S/C13H16O2S3/c1-13(2,3)18-12(16)17-10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey DAXLZJZHPQKQGE-UHFFFAOYSA-N
Molecular Weight 300.449 g/mol
SMILES OC(C(SC(SC(C)(C)C)=S)c1ccccc1)=O
SPLASH splash10-05i0-8900000000-980219fd9a7f46ed8031
Source of Spectrum K-120-417-9
Synonyms {[(tert-butylsulfanyl)carbothioyl]sulfanyl}(phenyl)acetic acid
Wiley ID 1302449