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METHYL-4-(4-CARBOXYPHENYL)-6-CHLORO-5-FORMYL-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
SpectraBase Compound ID C949mzTrcIu
InChI InChI=1S/C16H14ClNO5/c1-8-12(16(22)23-2)13(11(7-19)14(17)18-8)9-3-5-10(6-4-9)15(20)21/h3-7,13,18H,1-2H3,(H,20,21)
InChIKey OTDBKLKJDNTCDP-UHFFFAOYSA-N
Mol Weight 335.74 g/mol
Molecular Formula C16H14ClNO5
Exact Mass 335.05605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzvgsNmL6NG
Name METHYL-4-(4-CARBOXYPHENYL)-6-CHLORO-5-FORMYL-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14ClNO5
InChI InChI=1S/C16H14ClNO5/c1-8-12(16(22)23-2)13(11(7-19)14(17)18-8)9-3-5-10(6-4-9)15(20)21/h3-7,13,18H,1-2H3,(H,20,21)
InChIKey OTDBKLKJDNTCDP-UHFFFAOYSA-N
Literature Reference Author Y.VERDECIA,M.SUAREZ,A.MORALES,E.RODRIGUEZ,E.OCHOA,L.GONZALEZ ,N.MARTIN,M.QUINTEIR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,947(1996)
Literature Reference DOI 10.1039/p19960000947
Molecular Weight 335.744 g/mol
Solvent DMSO-D6
Source File Reference WANG2103