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Nicotinamide, N-(2-cyano-4,5-diethoxyphenyl)-

View entire compound with spectra: 1 FTIR

Nicotinamide, N-(2-cyano-4,5-diethoxyphenyl)-
SpectraBase Compound ID 8CxvR6Vlu5K
InChI InChI=1S/C17H17N3O3/c1-3-22-15-8-13(10-18)14(9-16(15)23-4-2)20-17(21)12-6-5-7-19-11-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)
InChIKey IRFZXXMPUSFAHO-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 22mGfoDi3gO
Name Nicotinamide, N-(2-cyano-4,5-diethoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.126991416 u
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c1-3-22-15-8-13(10-18)14(9-16(15)23-4-2)20-17(21)12-6-5-7-19-11-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)
InChIKey IRFZXXMPUSFAHO-UHFFFAOYSA-N
Molecular Weight 311.341 g/mol
SMILES C(NC1=C(C#N)C=C(C(=C1)OCC)OCC)(C1=CN=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936323