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2-Methylthio-benzoate anion

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2-Methylthio-benzoate anion
SpectraBase Compound ID GCEhnp4Bbq9
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-M
Mol Weight 167.2 g/mol
Molecular Formula C8H7O2S
Exact Mass 167.016676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzytYUD9quJ
Name 2-Methylthio-benzoate anion
CAS Registry Number 62680-49-3
Comments sodium salt
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7O2S
InChI InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey LWJQGKJCZOGGPJ-UHFFFAOYSA-M
Instrument Name Jeol FX-60
Literature Reference W. Nakanishi, Y. Ikeda, H. Iwamura, Org. Magn. Resonance 20, 117 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD