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N-Ethoxycarbonyl-N-(4-cyanophenyl)glycine, ethyl ester

View entire compound with spectra: 1 FTIR

N-Ethoxycarbonyl-N-(4-cyanophenyl)glycine, ethyl ester
SpectraBase Compound ID 6TupD1gv0AU
InChI InChI=1S/C14H16N2O4/c1-3-19-13(17)10-16(14(18)20-4-2)12-7-5-11(9-15)6-8-12/h5-8H,3-4,10H2,1-2H3
InChIKey LYEIMKDIZCFSAF-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C14H16N2O4
Exact Mass 276.111007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 84BAH2rkPtF
Name N-Ethoxycarbonyl-N-(4-cyanophenyl)glycine, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.111006999 u
Formula C14H16N2O4
InChI InChI=1S/C14H16N2O4/c1-3-19-13(17)10-16(14(18)20-4-2)12-7-5-11(9-15)6-8-12/h5-8H,3-4,10H2,1-2H3
InChIKey LYEIMKDIZCFSAF-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)C#N)N(CC(OCC)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845724