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2-Cyano-2',4'-dimethoxyacetanilide

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

2-Cyano-2',4'-dimethoxyacetanilide
SpectraBase Compound ID EFfTt8zIG4z
InChI InChI=1S/C11H12N2O3/c1-15-8-3-4-9(10(7-8)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKey DNTNHFNYAPVBQU-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C11H12N2O3
Exact Mass 220.084792 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1yZ7LlAed2S
Name 2-Cyano-2',4'-dimethoxyacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.084792251 u
Formula C11H12N2O3
InChI InChI=1S/C11H12N2O3/c1-15-8-3-4-9(10(7-8)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKey DNTNHFNYAPVBQU-UHFFFAOYSA-N
Molecular Weight 220.228 g/mol
SMILES N(C(CC#N)=O)C1=CC=C(C=C1OC)OC
Spectrum/Structure Validation Score (Raman) 0.898586