| SpectraBase Spectrum ID |
2bck6ZmEtKu |
| Name |
4-Amino-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione, 3me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.084495772 u |
| Formula |
C11H13FN4S |
| InChI |
InChI=1S/C11H13FN4S/c1-14(2)16-10(13-15(3)11(16)17)8-6-4-5-7-9(8)12/h4-7H,1-3H3 |
| InChIKey |
JZXMKRMGXVVLQH-UHFFFAOYSA-N |
| Molecular Weight |
252.311 g/mol |
| SMILES |
C1(F)=C(C=CC=C1)C=1N(C(N(N1)C)=S)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872838 |
