| SpectraBase Spectrum ID |
71K9qduRFOX |
| Name |
Pyridine-2-carboxylic acid, (2-cyano-4,5-diethoxyphenyl)amide |
| 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/c1-3-22-15-9-12(11-18)14(10-16(15)23-4-2)20-17(21)13-7-5-6-8-19-13/h5-10H,3-4H2,1-2H3,(H,20,21) |
| InChIKey |
DTAPCJFVNYGLDC-UHFFFAOYSA-N |
| Molecular Weight |
311.341 g/mol |
| SMILES |
C1(NC(C=2N=CC=CC2)=O)=C(C#N)C=C(C(=C1)OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911458 |
