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Ethyl (E)-4-phenyl)-2-cyano-2-butenoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Ethyl (E)-4-phenyl)-2-cyano-2-butenoate
SpectraBase Compound ID DvuFiFugO08
InChI InChI=1S/C13H13NO2/c1-2-16-13(15)12(10-14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3/b12-9+
InChIKey NIAQFDFUIIQKFD-FMIVXFBMSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 12dmZHLSE4z
Name Ethyl (E)-4-phenyl)-2-cyano-2-butenoate
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/c1-2-16-13(15)12(10-14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3/b12-9+
InChIKey NIAQFDFUIIQKFD-FMIVXFBMSA-N
Molecular Weight 215.252 g/mol
SMILES C(\C(C#N)=C\CC1=CC=CC=C1)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948165