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(Phenylthio)acetic acid

View entire compound with spectra: 14 NMR, 4 FTIR, and 3 MS (GC)

(Phenylthio)acetic acid
SpectraBase Compound ID 6MVayGymtV0
InChI InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey MOTOSAGBNXXRRE-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cMG3dV7pP7
Name (Phenylthio)acetic acid
CAS Registry Number 103-04-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey MOTOSAGBNXXRRE-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.B. Lambert, S.M. Wharry, J. Am. Chem. Soc. 104, 5857 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6