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2-Cyano-3-[ethyl(2-hydroxybutyl)amino]acrylic acid, ethyl ester

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

2-Cyano-3-[ethyl(2-hydroxybutyl)amino]acrylic acid, ethyl ester
SpectraBase Compound ID JBJvXdUKfgJ
InChI InChI=1S/C12H20N2O3/c1-4-11(15)9-14(5-2)8-10(7-13)12(16)17-6-3/h8,11,15H,4-6,9H2,1-3H3
InChIKey ZUMVXCNZNOVPJZ-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C12H20N2O3
Exact Mass 240.147393 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DL2CkedvQBI
Name 2-Cyano-3-[ethyl(2-hydroxybutyl)amino]acrylic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.147392509 u
Formula C12H20N2O3
InChI InChI=1S/C12H20N2O3/c1-4-11(15)9-14(5-2)8-10(7-13)12(16)17-6-3/h8,11,15H,4-6,9H2,1-3H3
InChIKey ZUMVXCNZNOVPJZ-UHFFFAOYSA-N
Molecular Weight 240.303 g/mol
SMILES OC(CC)CN(C=C(C(OCC)=O)C#N)CC
Spectrum/Structure Validation Score (Raman) 0.921416