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D,L-[(2,2-dimethylpropanethioyl)thio]phenylacetic acid
SpectraBase Compound ID ALUeqLpAxYs
InChI InChI=1S/C13H16O2S2/c1-13(2,3)12(16)17-10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey LMCMHGJNDNPWNA-UHFFFAOYSA-N
Mol Weight 268.39 g/mol
Molecular Formula C13H16O2S2
Exact Mass 268.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Do9CvozRph
Name D,L-[(2,2-dimethylpropanethioyl)thio]phenylacetic acid
Alternate Name(s) [(2,2-dimethylpropanethioyl)sulfanyl](phenyl)acetic acid
CAS Registry Number 106064-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S2
InChI InChI=1S/C13H16O2S2/c1-13(2,3)12(16)17-10(11(14)15)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,15)
InChIKey LMCMHGJNDNPWNA-UHFFFAOYSA-N
Molecular Weight 268.389 g/mol
SMILES OC(C(SC(C(C)(C)C)=S)c1ccccc1)=O
SPLASH splash10-0udi-1910000000-69961d56038572291b22
Source of Spectrum K-120-418-11
Wiley ID 1271816