| SpectraBase Spectrum ID |
ETmKDaqX6RW |
| Name |
5-([(4-chlorophenyl)amino]methyl)-2-[(4-fluorophenyl)methyl]-2,3-dihydro-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 |
332.084016949 u |
| Formula |
C16H14ClFN4O |
| InChI |
InChI=1S/C16H14ClFN4O/c17-12-3-7-14(8-4-12)19-9-15-20-16(23)22(21-15)10-11-1-5-13(18)6-2-11/h1-8,19H,9-10H2,(H,20,21,23) |
| InChIKey |
XIQJRIKBMXFNKP-UHFFFAOYSA-N |
| Molecular Weight |
332.766 g/mol |
| SMILES |
C1=C(C=CC(=C1)CN1NC(=NC1=O)CNC1=CC=C(C=C1)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81241 |
![5-([(4-chlorophenyl)amino]methyl)-2-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one](/api/spectrum/ETmKDaqX6RW/structure.png?h=300&w=458 "5-([(4-chlorophenyl)amino]methyl)-2-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-1,2,4-triazol-3-one")
