| SpectraBase Spectrum ID |
E1yWQHgH4cX |
| Name |
5-[(Phenylamino)methyl]-2-{[3-(trifluoromethyl)phenyl]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 |
348.119795607 u |
| Formula |
C17H15F3N4O |
| InChI |
InChI=1S/C17H15F3N4O/c18-17(19,20)13-6-4-5-12(9-13)11-24-16(25)22-15(23-24)10-21-14-7-2-1-3-8-14/h1-9,21H,10-11H2,(H,22,23,25) |
| InChIKey |
CYFFLDNDEWPXJY-UHFFFAOYSA-N |
| Molecular Weight |
348.329 g/mol |
| SMILES |
C(C1=CC(CN2NC(=NC2=O)CNC2=CC=CC=C2)=CC=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841353 |
![5-[(Phenylamino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-one](/api/spectrum/E1yWQHgH4cX/structure.png?h=300&w=458 "5-[(Phenylamino)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-one")
