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2-cyano-N-(3,4-dimethoxyphenethyl)acetamide

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 1 UV-Vis

2-cyano-N-(3,4-dimethoxyphenethyl)acetamide
SpectraBase Compound ID 1x6Qp9SLK9O
InChI InChI=1S/C13H16N2O3/c1-17-11-4-3-10(9-12(11)18-2)6-8-15-13(16)5-7-14/h3-4,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKey NMUPQXBMCWDTSX-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 996jydXFJNs
Name 2-Cyano-N-(3,4-dimethoxyphenethyl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.116092380 u
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-17-11-4-3-10(9-12(11)18-2)6-8-15-13(16)5-7-14/h3-4,9H,5-6,8H2,1-2H3,(H,15,16)
InChIKey NMUPQXBMCWDTSX-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES N(CCC1=CC=C(C(=C1)OC)OC)C(CC#N)=O
Spectrum/Structure Validation Score (Raman) 0.97394