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3-Methyl-benzoate anion

View entire compound with spectra: 1 NMR

3-Methyl-benzoate anion
SpectraBase Compound ID BXvp7iXtQW6
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-M
Mol Weight 135.14 g/mol
Molecular Formula C8H7O2
Exact Mass 135.044604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSKux4SyiDn
Name 3-Methyl-benzoate anion
CAS Registry Number 16887-59-5
Comments sodium salt
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H7O2
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference J. Guilleme, E. Diez, F.J. Bermejo, Magn. Res. Chem. 23, 442 (1985).
NMR Standard Benzene
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent NaOH