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alpha-Cyano-o-nitrocinnamic acid, methyl ester

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

alpha-Cyano-o-nitrocinnamic acid, methyl ester
SpectraBase Compound ID 4klFXcchDHg
InChI InChI=1S/C11H8N2O4/c1-17-11(14)9(7-12)6-8-4-2-3-5-10(8)13(15)16/h2-6H,1H3
InChIKey LJIGRDXCIMUCHL-UHFFFAOYSA-N
Mol Weight 232.19 g/mol
Molecular Formula C11H8N2O4
Exact Mass 232.048407 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DbUCZbuPgqP
Name alpha-Cyano-o-nitrocinnamic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.048406742 u
Formula C11H8N2O4
InChI InChI=1S/C11H8N2O4/c1-17-11(14)9(7-12)6-8-4-2-3-5-10(8)13(15)16/h2-6H,1H3
InChIKey LJIGRDXCIMUCHL-UHFFFAOYSA-N
Molecular Weight 232.195 g/mol
SMILES N(=O)(=O)C1=CC=CC=C1C=C(C(OC)=O)C#N
Spectrum/Structure Validation Score (Raman) 0.902309