| SpectraBase Spectrum ID |
3CAVEd7RBjx |
| Name |
N-(2-Cyano-4,5-diethoxy-phenyl)-3-nitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.116820654 u |
| Formula |
C18H17N3O5 |
| InChI |
InChI=1S/C18H17N3O5/c1-3-25-16-9-13(11-19)15(10-17(16)26-4-2)20-18(22)12-6-5-7-14(8-12)21(23)24/h5-10H,3-4H2,1-2H3,(H,20,22) |
| InChIKey |
FFUKIQRXJHNROV-UHFFFAOYSA-N |
| Molecular Weight |
355.350 g/mol |
| SMILES |
CCOC=1C(=CC(NC(C2=CC(N(=O)=O)=CC=C2)=O)=C(C#N)C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937413 |
