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2-amino-5-cyano-6-phenyl-4-p-tolyl-4H-pyran-3-carboxylic acid, ethyl ester

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

2-amino-5-cyano-6-phenyl-4-p-tolyl-4H-pyran-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 4dlsDO34xse
InChI InChI=1S/C22H20N2O3/c1-3-26-22(25)19-18(15-11-9-14(2)10-12-15)17(13-23)20(27-21(19)24)16-7-5-4-6-8-16/h4-12,18H,3,24H2,1-2H3
InChIKey VQQOUYSIDIGHJX-UHFFFAOYSA-N
Mol Weight 360.41 g/mol
Molecular Formula C22H20N2O3
Exact Mass 360.147393 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1o0U1fhKkry
Name 2-Amino-5-cyano-6-phenyl-4-p-tolyl-4H-pyran-3-carboxylic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.147392509 u
Formula C22H20N2O3
InChI InChI=1S/C22H20N2O3/c1-3-26-22(25)19-18(15-11-9-14(2)10-12-15)17(13-23)20(27-21(19)24)16-7-5-4-6-8-16/h4-12,18H,3,24H2,1-2H3
InChIKey VQQOUYSIDIGHJX-UHFFFAOYSA-N
Molecular Weight 360.413 g/mol
SMILES NC1=C(C(C(=C(O1)C=1C=CC=CC1)C#N)C=1C=CC(=CC1)C)C(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.838311