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3-(Mercaptomethyl)benzoic Acid
SpectraBase Compound ID BjVXfEIoaOI
InChI InChI=1S/C8H8O2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H,9,10)
InChIKey ASCWVQXSKGOWHV-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 DK3lSgPtez0
Name 3-(MERCAPTOMETHYL)-BENZOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H,9,10)
InChIKey ASCWVQXSKGOWHV-UHFFFAOYSA-N
Literature Reference Author G.A.REED,D.R.DIMMEL,E.W.MALCOLM
Literature Reference Citation J.ORG.CHEM.,58,6372(1993)
Literature Reference DOI 10.1021/jo00075a035
Molecular Weight 168.210 g/mol
Solvent DMSO-D6
Source File Reference UWGE5133