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5-Cyano-1,2,3,4-tetrahydro-4-(4-methoxy-phenyl)- 2-oxo-6-phenyl-pyridine-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 5onNyP5V9fe
InChI InChI=1S/C22H20N2O4/c1-3-28-22(26)19-18(14-9-11-16(27-2)12-10-14)17(13-23)20(24-21(19)25)15-7-5-4-6-8-15/h4-12,18-19H,3H2,1-2H3,(H,24,25)
InChIKey UTYOHITVLFIICT-UHFFFAOYSA-N
Mol Weight 376.41 g/mol
Molecular Formula C22H20N2O4
Exact Mass 376.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G80ehCd0G9G
Name 3-Pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-6-phenyl-, ethyl ester
CAS Registry Number 107200-00-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O4
InChI InChI=1S/C22H20N2O4/c1-3-28-22(26)19-18(14-9-11-16(27-2)12-10-14)17(13-23)20(24-21(19)25)15-7-5-4-6-8-15/h4-12,18-19H,3H2,1-2H3,(H,24,25)
InChIKey UTYOHITVLFIICT-UHFFFAOYSA-N
Molecular Weight 376.412 g/mol
SMILES N1C(C(C(C(=C1c1ccccc1)C#N)c1ccc(cc1)OC)C(=O)OCC)=O
SPLASH splash10-0udi-0009000000-d8f62560d8983567f864
Source of Spectrum KC-1989-1979-16
Synonyms Ethyl 5-cyano-1,2,3,4-tetrahydro-4-(p-methoxyphenyl)-6-phenylpyridine-3-carboxylate Ethyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Wiley ID 1357810