| SpectraBase Spectrum ID |
3a9RTVM57ex |
| Name |
9-Chloro-4-methyl-2,2,7-tris-trifluoromethyl-2H-pyrido[1,2-A][1,3,5]triazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.002828340 u |
| Formula |
C11H5ClF9N3 |
| InChI |
InChI=1S/C11H5ClF9N3/c1-4-22-9(10(16,17)18,11(19,20)21)23-7-6(12)2-5(3-24(4)7)8(13,14)15/h2-3H,1H3 |
| InChIKey |
QPGPPCNKTWYDQS-UHFFFAOYSA-N |
| Molecular Weight |
385.621 g/mol |
| SMILES |
C1(N=C2C(=CC(C(F)(F)F)=CN2C(=N1)C)Cl)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874421 |
![9-Chloro-4-methyl-2,2,7-tris-trifluoromethyl-2H-pyrido[1,2-a][1,3,5]triazine](/api/spectrum/3a9RTVM57ex/structure.png?h=300&w=458 "9-Chloro-4-methyl-2,2,7-tris-trifluoromethyl-2H-pyrido[1,2-a][1,3,5]triazine")
