| SpectraBase Spectrum ID |
7V490h9fGYS |
| Name |
2-Benzyl-5-{[(4-methoxyphenyl)amino]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 |
310.142975834 u |
| Formula |
C17H18N4O2 |
| InChI |
InChI=1S/C17H18N4O2/c1-23-15-9-7-14(8-10-15)18-11-16-19-17(22)21(20-16)12-13-5-3-2-4-6-13/h2-10,18H,11-12H2,1H3,(H,19,20,22) |
| InChIKey |
RJQOTNUYAAKHMD-UHFFFAOYSA-N |
| SMILES |
COC1=CC=C(NCC=2NN(CC3=CC=CC=C3)C(N2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822827 |
![2-Benzyl-5-{[(4-methoxyphenyl)amino]methyl}-1H-1,2,4-triazol-3-one](/api/spectrum/7V490h9fGYS/structure.png?h=300&w=458 "2-Benzyl-5-{[(4-methoxyphenyl)amino]methyl}-1H-1,2,4-triazol-3-one")
