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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

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5L9VbneUMu0
Name BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author H.DAHN,M.UNG-TRUONG
Literature Reference Citation HELV.CHIM.ACTA,70,2130(1987)
Literature Reference DOI 10.1002/hlca.19870700818
Solvent H2O-16
Source File Reference UHPK1189