SpectraBase Spectrum ID |
FvIO30bdUzT |
Name |
Benzamide, 2,4-dichloro-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 |
378.053797780 u |
Formula |
C18H16Cl2N2O3 |
InChI |
InChI=1S/C18H16Cl2N2O3/c1-3-24-16-7-11(10-21)15(9-17(16)25-4-2)22-18(23)13-6-5-12(19)8-14(13)20/h5-9H,3-4H2,1-2H3,(H,22,23) |
InChIKey |
CNOGEPMSAJYRMV-UHFFFAOYSA-N |
Molecular Weight |
379.243 g/mol |
SMILES |
C1(C(NC2=C(C#N)C=C(C(=C2)OCC)OCC)=O)=C(C=C(C=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951477 |