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alpha-Cyano-o-methylcinnamic acid, ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

alpha-Cyano-o-methylcinnamic acid, ethyl ester
SpectraBase Compound ID HxnDF52kWRt
InChI InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-7-5-4-6-10(11)2/h4-8H,3H2,1-2H3
InChIKey FPBJDRRJLHQBJS-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3hs5l5wrTaC
Name alpha-Cyano-o-methylcinnamic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.094628661 u
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-7-5-4-6-10(11)2/h4-8H,3H2,1-2H3
InChIKey FPBJDRRJLHQBJS-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES C1=C(C(=CC=C1)C=C(C(OCC)=O)C#N)C
Spectrum/Structure Validation Score (Raman) 0.728876