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Benzeneacetic acid, .alpha.-(methylthio)-.alpha.-phenyl-
SpectraBase Compound ID JlmnYxJZIKH
InChI InChI=1S/C15H14O2S/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKey JVPYKBDCWQVDTJ-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C15H14O2S
Exact Mass 258.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0YWh42dBya
Name Benzeneacetic acid, .alpha.-(methylthio)-.alpha.-phenyl-
Alternate Name(s) (methylsulfanyl)(diphenyl)acetic acid 2,2-Diphenyl-2-(methylthio)acetic acid Acetic acid, (methylthio)diphenyl-
CAS Registry Number 16502-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O2S
InChI InChI=1S/C15H14O2S/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKey JVPYKBDCWQVDTJ-UHFFFAOYSA-N
Molecular Weight 258.335 g/mol
SMILES OC(C(c1ccccc1)(c1ccccc1)SC)=O
SPLASH splash10-014i-0910000000-5bf14e67274537b93a79
Source of Spectrum C-99-3108-0
Wiley ID 1261793