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(benzylthio)acetic acid, methyl ester

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(benzylthio)acetic acid, methyl ester
SpectraBase Compound ID CktQYkAAtsR
InChI InChI=1S/C10H12O2S/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QQDHRVYAGDFBOI-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tkeC5cNG4D
Name 4-PHENYL-3-THIA-METHYLBUTYROATE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QQDHRVYAGDFBOI-UHFFFAOYSA-N
Literature Reference Author J.FROEHLICH,F.SAUTER,V.MILATA
Literature Reference Citation MAGN.RES.CHEM.,39,113(2001)
Literature Reference DOI 10.1002/1097-458x(200102)39:2<113::aid-mrc808>3.0.co;2-b
Molecular Weight 196.264 g/mol
Solvent CDCl3
Source File Reference UWSI24807