| SpectraBase Spectrum ID |
Kl0sSagYMd1 |
| Name |
2-Amino-3-(4-chlorobenzyl)-6-methoxy-4-phenyl-4H-pyridine-3,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.109088882 u |
| Formula |
C21H17ClN4O |
| InChI |
InChI=1S/C21H17ClN4O/c1-27-19-17(12-23)18(15-5-3-2-4-6-15)21(13-24,20(25)26-19)11-14-7-9-16(22)10-8-14/h2-10,18H,11H2,1H3,(H2,25,26) |
| InChIKey |
AUGNBQZPNKEPFR-UHFFFAOYSA-N |
| Molecular Weight |
376.847 g/mol |
| SMILES |
C1(C(=NC(=C(C1C=1C=CC=CC1)C#N)OC)N)(C#N)CC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801519 |
