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Benzoate
SpectraBase Compound ID 3KpqdyFFrNc
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-M
Mol Weight 121.11 g/mol
Molecular Formula C7H5O2
Exact Mass 121.028954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SU6TbjOq8P
Name Benzoate anion
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H5O2
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-M
Instrument Name Bruker HX-270
Literature Reference L.M. Schwartz, G.I. Gelb, D.A.Laufer, J. Chem. Soc. Perkin II 1987, 453.
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O