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Benzoic acid
SpectraBase Compound ID 3KpqxKPYbC8
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
Mol Weight 122.12 g/mol
Molecular Formula C7H6O2
Exact Mass 122.036779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eH3rTQVwlA
Name BENZOIC-ACID
Compound Number B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6O2
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
Literature Reference Author T.D.W.CLARIDGE,E.J.NETTLETON,M.G.MOLONEY
Literature Reference Citation MAGN.RES.CHEM.,35,159(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199703)35:3<159::aid-omr51>3.3.co;2-g
Molecular Weight 122.123 g/mol
Solvent CDCl3
Source File Reference UWCP4414