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Acetic acid, 2-cyano-2-(2-phenyl-4H-1-benzopyran-4-ylidene)-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Acetic acid, 2-cyano-2-(2-phenyl-4H-1-benzopyran-4-ylidene)-, methyl ester
SpectraBase Compound ID JUVgul5NAuc
InChI InChI=1S/C19H13NO3/c1-22-19(21)16(12-20)15-11-18(13-7-3-2-4-8-13)23-17-10-6-5-9-14(15)17/h2-11H,1H3/b16-15-
InChIKey QWUKYYJTVGPHPJ-NXVVXOECSA-N
Mol Weight 303.32 g/mol
Molecular Formula C19H13NO3
Exact Mass 303.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ZqqPYjPdlF
Name Acetic acid, 2-cyano-2-(2-phenyl-4H-1-benzopyran-4-ylidene)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.089543280 u
Formula C19H13NO3
InChI InChI=1S/C19H13NO3/c1-22-19(21)16(12-20)15-11-18(13-7-3-2-4-8-13)23-17-10-6-5-9-14(15)17/h2-11H,1H3/b16-15-
InChIKey QWUKYYJTVGPHPJ-NXVVXOECSA-N
SMILES COC(=O)\C(C#N)=C\1C=C(OC2=CC=CC=C12)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808851