| SpectraBase Spectrum ID |
CEN4wzTlX21 |
| Name |
1,2,4-Triazolo[2,3-A]pyrimidine, 1,8A-dihydro-5-difluoromethyl-2-trifluoromethyl-7-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.074737121 u |
| Formula |
C13H9F5N4 |
| InChI |
InChI=1S/C13H9F5N4/c14-10(15)9-6-8(7-4-2-1-3-5-7)19-12-20-11(13(16,17)18)21-22(9)12/h1-6,10,12H,(H,20,21) |
| InChIKey |
QCTCOZHTQFQFHR-UHFFFAOYSA-N |
| Molecular Weight |
316.235 g/mol |
| SMILES |
C=1C=CC(C=2C=C(N3C(NC(=N3)C(F)(F)F)N2)C(F)F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894243 |
![1,2,4-Triazolo[2,3-a]pyrimidine, 1,8a-dihydro-5-difluoromethyl-2-trifluoromethyl-7-phenyl-](/api/spectrum/CEN4wzTlX21/structure.png?h=300&w=458 "1,2,4-Triazolo[2,3-a]pyrimidine, 1,8a-dihydro-5-difluoromethyl-2-trifluoromethyl-7-phenyl-")
