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cis-5-benzamido-2-methyl-4-(p-nitrophenyl)-6-oxo-1,4,5,6-tetrahydronicotinic acid, ethyl ester
SpectraBase Compound ID 6Y6Erg3q0r1
InChI InChI=1S/C22H21N3O6/c1-3-31-22(28)17-13(2)23-21(27)19(24-20(26)15-7-5-4-6-8-15)18(17)14-9-11-16(12-10-14)25(29)30/h4-12,18-19H,3H2,1-2H3,(H,23,27)(H,24,26)/t18-,19-/s2
InChIKey FXKLAHCUSCTJNZ-PVIFGLDDSA-N
Mol Weight 423.43 g/mol
Molecular Formula C22H21N3O6
Exact Mass 423.143035 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JnYFTBFBHcE
Name cis-5-BENZAMIDO-2-METHYL-4-(p-NITROPHENYL)-6-OXO-1,4,5,6-TETRAHYDRONICOTINIC ACID, ETHYL ESTER
Source of Sample A. Maquestiau and J.-J. Vanden Eynde, and P. Papleux, State University of Mons, Mons, Belgium
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O6
InChI InChI=1S/C22H21N3O6/c1-3-31-22(28)17-13(2)23-21(27)19(24-20(26)15-7-5-4-6-8-15)18(17)14-9-11-16(12-10-14)25(29)30/h4-12,18-19H,3H2,1-2H3,(H,23,27)(H,24,26)/t18-,19-/s2
InChIKey FXKLAHCUSCTJNZ-PVIFGLDDSA-N
Literature Reference BULL. SOC. CHIM. BELG. 94, 849(1985) Abstract-Chemical Abstracts= 106, 18321X(1987)
Melting Point 201-202C
Molecular Weight 423.424988
Synonyms NICOTINIC ACID, 5-BENZAMIDO- 2-METHYL-4-/P-NITROPHENYL/-6-OXO- 1,4,5,6-TETRAHYDRO-, ETHYL ESTER, CIS-,
Technique KBr WAFER