| SpectraBase Spectrum ID |
9fkHal4E0zm |
| Name |
1-(3-Chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.071735758 u |
| Formula |
C16H12ClF4N5 |
| InChI |
InChI=1S/C16H12ClF4N5/c17-11-7-8(5-6-12(11)18)26-13(24-14(22)25-15(26)23)9-3-1-2-4-10(9)16(19,20)21/h1-7,13H,(H4,22,23,24,25) |
| InChIKey |
CXBCZYCSJBKKLT-UHFFFAOYSA-N |
| Molecular Weight |
385.754 g/mol |
| SMILES |
C1=CC=C(C2N(C(=NC(=N2)N)N)C=2C=C(Cl)C(=CC2)F)C(C(F)(F)F)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860947 |
![1-(3-Chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine](/api/spectrum/9fkHal4E0zm/structure.png?h=300&w=458 "1-(3-Chloro-4-fluorophenyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine")
