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alpha-Cyano-3,4-(methylenedioxy)cinnamic acid, ethyl ester

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

alpha-Cyano-3,4-(methylenedioxy)cinnamic acid, ethyl ester
SpectraBase Compound ID I82Ym6hUIQV
InChI InChI=1S/C13H11NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-6H,2,8H2,1H3/b10-5+
InChIKey RYGTWDAUOUMNRA-BJMVGYQFSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eh4pb3oxKGT
Name alpha-Cyano-3,4-(methylenedioxy)cinnamic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.068807834 u
Formula C13H11NO4
InChI InChI=1S/C13H11NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-6H,2,8H2,1H3/b10-5+
InChIKey RYGTWDAUOUMNRA-BJMVGYQFSA-N
Molecular Weight 245.234 g/mol
SMILES C=1C(=CC=C2OCOC12)\C=C\(C(OCC)=O)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94346