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o-(methylthio)benzoic acid
SpectraBase Compound ID GCEijtZ5pHh
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-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 8EXZFDnQhM7
Name ORTHO-(METHYLTHIO)-BENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Literature Reference Author T.MANGUIA,I.S.PAVEL,R.N.KAPOOR,F.CERVANTES-LEE,L.PARKANYI,K. H.PANNELL
Literature Reference Citation CAN.J.CHEM.,81,1388(2003)
Literature Reference DOI 10.1139/v03-163
Molecular Weight 168.210 g/mol
Solvent CDCl3
Source File Reference UWLU30178