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benzilic acid, (2-pyridyl)methyl ester, acetate(ester), hydrochloride

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benzilic acid, (2-pyridyl)methyl ester, acetate(ester), hydrochloride
SpectraBase Compound ID AfKycbWxcWE
InChI InChI=1S/C22H19NO4.ClH/c1-17(24)27-22(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21(25)26-16-20-14-8-9-15-23-20;/h2-15H,16H2,1H3;1H
InChIKey WFXMXUQTKASDSI-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C22H20ClNO4
Exact Mass 397.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cs2d5SVch9U
Name BENZILIC ACID, (2-PYRIDYL)METHYL ESTER, ACETATE (ESTER), HYDROCHLORIDE
Source of Sample H. Cousse & G. Mouzin, Research Center Pierre Fabre Sa, Castres, France
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO4 HCl
InChI InChI=1S/C22H19NO4.ClH/c1-17(24)27-22(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21(25)26-16-20-14-8-9-15-23-20;/h2-15H,16H2,1H3;1H
InChIKey WFXMXUQTKASDSI-UHFFFAOYSA-N
Melting Point 140C
Molecular Weight 397.86
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZILIC ACID, /2-PYRIDYL/METHYL ESTER, ACETATE (ESTER), HYDROCHLORIDE