| SpectraBase Spectrum ID |
6rGvA40Mw2d |
| Name |
2-[(2-Chlorophenyl)methyl]-5-[(phenylamino)methyl]-1H-1,2,4-triazol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.093438818 u |
| Formula |
C16H15ClN4O |
| InChI |
InChI=1S/C16H15ClN4O/c17-14-9-5-4-6-12(14)11-21-16(22)19-15(20-21)10-18-13-7-2-1-3-8-13/h1-9,18H,10-11H2,(H,19,20,22) |
| InChIKey |
ZIIKGEYHESFCCP-UHFFFAOYSA-N |
| Molecular Weight |
314.776 g/mol |
| SMILES |
C1=CC=C(C=C1)NCC=1NN(CC2=C(C=CC=C2)Cl)C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858527 |
![2-[(2-Chlorophenyl)methyl]-5-[(phenylamino)methyl]-1H-1,2,4-triazol-3-one](/api/spectrum/6rGvA40Mw2d/structure.png?h=300&w=458 "2-[(2-Chlorophenyl)methyl]-5-[(phenylamino)methyl]-1H-1,2,4-triazol-3-one")
