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2-Methylsulfinyl-benzoate anion

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2-Methylsulfinyl-benzoate anion
SpectraBase Compound ID 1Vwon2bs9tl
InChI InChI=1S/C8H8O3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey JVYFTEBQXOBPAB-UHFFFAOYSA-M
Mol Weight 183.2 g/mol
Molecular Formula C8H7O3S
Exact Mass 183.01159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7JvMnPZlso
Name 2-Methylsulfinyl-benzoate anion
CAS Registry Number 117831-52-4
Comments sodium salt
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7O3S
InChI InChI=1S/C8H8O3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey JVYFTEBQXOBPAB-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