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Propenoic acid, 2-cyano-3-(2,5-diethoxyphenyl)-, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Propenoic acid, 2-cyano-3-(2,5-diethoxyphenyl)-, ethyl ester
SpectraBase Compound ID Lac2t24t09B
InChI InChI=1S/C16H19NO4/c1-4-19-14-7-8-15(20-5-2)12(10-14)9-13(11-17)16(18)21-6-3/h7-10H,4-6H2,1-3H3/b13-9+
InChIKey OZQHEKJWMBMSGW-UKTHLTGXSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6S0Kg58GLNH
Name Propenoic acid, 2-cyano-3-(2,5-diethoxyphenyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.131408092 u
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-4-19-14-7-8-15(20-5-2)12(10-14)9-13(11-17)16(18)21-6-3/h7-10H,4-6H2,1-3H3/b13-9+
InChIKey OZQHEKJWMBMSGW-UKTHLTGXSA-N
SMILES C1(\C=C\(C(=O)OCC)C#N)=C(C=CC(=C1)OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950208