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2-amino-5-cyano-4-(o-nitrophenyl)-6-phenyl-4H-pyran-3-carboxylic acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

2-amino-5-cyano-4-(o-nitrophenyl)-6-phenyl-4H-pyran-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 3sRKdBbqu00
InChI InChI=1S/C21H17N3O5/c1-2-28-21(25)18-17(14-10-6-7-11-16(14)24(26)27)15(12-22)19(29-20(18)23)13-8-4-3-5-9-13/h3-11,17H,2,23H2,1H3
InChIKey KTLYUYPVJOIGOW-UHFFFAOYSA-N
Mol Weight 391.38 g/mol
Molecular Formula C21H17N3O5
Exact Mass 391.116821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSArxdKWgPc
Name 2-Amino-5-cyano-4-(o-nitrophenyl)-6-phenyl-4H-pyran-3-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.116820654 u
Formula C21H17N3O5
InChI InChI=1S/C21H17N3O5/c1-2-28-21(25)18-17(14-10-6-7-11-16(14)24(26)27)15(12-22)19(29-20(18)23)13-8-4-3-5-9-13/h3-11,17H,2,23H2,1H3
InChIKey KTLYUYPVJOIGOW-UHFFFAOYSA-N
Molecular Weight 391.383 g/mol
SMILES N(=O)(=O)C=1C=CC=CC1C1C(=C(OC(=C1C(OCC)=O)N)C=1C=CC=CC1)C#N