| SpectraBase Spectrum ID |
AkXqFILPsGb |
| Name |
2-[(4-Fluorophenyl)methyl]-5-([(3-methoxyphenyl)amino]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 |
328.133553964 u |
| Formula |
C17H17FN4O2 |
| InChI |
InChI=1S/C17H17FN4O2/c1-24-15-4-2-3-14(9-15)19-10-16-20-17(23)22(21-16)11-12-5-7-13(18)8-6-12/h2-9,19H,10-11H2,1H3,(H,20,21,23) |
| InChIKey |
NTQYSMUERXDJFW-UHFFFAOYSA-N |
| Molecular Weight |
328.347 g/mol |
| SMILES |
COC1=CC(NCC=2NN(CC=3C=CC(=CC3)F)C(N2)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833423 |
![2-[(4-Fluorophenyl)methyl]-5-([(3-methoxyphenyl)amino]methyl)-2,3-dihydro-1H-1,2,4-triazol-3-one](/api/spectrum/AkXqFILPsGb/structure.png?h=300&w=458 "2-[(4-Fluorophenyl)methyl]-5-([(3-methoxyphenyl)amino]methyl)-2,3-dihydro-1H-1,2,4-triazol-3-one")
