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2-Hexenedioic acid, 5-cyano-, diethyl ester, (E)-

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

2-Hexenedioic acid, 5-cyano-, diethyl ester, (E)-
SpectraBase Compound ID 4coKPD5Vx7R
InChI InChI=1S/C11H15NO4/c1-3-15-10(13)7-5-6-9(8-12)11(14)16-4-2/h5,7,9H,3-4,6H2,1-2H3/b7-5+
InChIKey AZBDGRZGRXLVFK-FNORWQNLSA-N
Mol Weight 225.24 g/mol
Molecular Formula C11H15NO4
Exact Mass 225.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B5zFDIOU6VQ
Name 2-Hexenedioic acid, 5-cyano-, diethyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.100107963 u
Formula C11H15NO4
InChI InChI=1S/C11H15NO4/c1-3-15-10(13)7-5-6-9(8-12)11(14)16-4-2/h5,7,9H,3-4,6H2,1-2H3/b7-5+
InChIKey AZBDGRZGRXLVFK-FNORWQNLSA-N
Molecular Weight 225.244 g/mol
SMILES C(C(C#N)C\C=C\C(=O)OCC)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921531