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Benzamide, N-(2-cyano-4,5-diethoxyphenyl)-
SpectraBase Compound ID HxpK2JxuIS3
InChI InChI=1S/C18H18N2O3/c1-3-22-16-10-14(12-19)15(11-17(16)23-4-2)20-18(21)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey UJMJMVDGYMMOOW-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C18H18N2O3
Exact Mass 310.131742 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BlSYwj30Rx0
Name Benzamide, 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 310.131742445 u
Formula C18H18N2O3
InChI InChI=1S/C18H18N2O3/c1-3-22-16-10-14(12-19)15(11-17(16)23-4-2)20-18(21)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3,(H,20,21)
InChIKey UJMJMVDGYMMOOW-UHFFFAOYSA-N
Molecular Weight 310.353 g/mol
SMILES C1(NC(=O)C=2C=CC=CC2)=C(C#N)C=C(C(=C1)OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941503