| SpectraBase Spectrum ID |
Ccw4NFGTHDL |
| Name |
2-[(3-Fluorophenyl)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 |
298.122989281 u |
| Formula |
C16H15FN4O |
| InChI |
InChI=1S/C16H15FN4O/c17-13-6-4-5-12(9-13)11-21-16(22)19-15(20-21)10-18-14-7-2-1-3-8-14/h1-9,18H,10-11H2,(H,19,20,22) |
| InChIKey |
XMQMKJGCNSATTQ-UHFFFAOYSA-N |
| Molecular Weight |
298.321 g/mol |
| SMILES |
C1=CC=C(C=C1)NCC=1NN(CC2=CC(=CC=C2)F)C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948052 |
![2-[(3-Fluorophenyl)methyl]-5-[(phenylamino)methyl]-1H-1,2,4-triazol-3-one](/api/spectrum/Ccw4NFGTHDL/structure.png?h=300&w=458 "2-[(3-Fluorophenyl)methyl]-5-[(phenylamino)methyl]-1H-1,2,4-triazol-3-one")
