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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 14GvQgLFOaa
Name BENZOIC-ACID
Compound Number 10
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 D.G.DEKOWALEWSKI,V.J.KOWALEWSKI,E.BOTEK,R.H.CONTRERAS,J.C.FA CELLI
Literature Reference Citation MAGN.RES.CHEM.,35,351(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199706)35:6<351::aid-omr6>3.3.co;2-k
Molecular Weight 122.123 g/mol
Solvent CD3CN
Source File Reference UWCP4742