| SpectraBase Spectrum ID |
JvXCi5TWMOB |
| Name |
(2,8-Dimethyl-7H-purin-6-yl)-(2,3,4,5,6-pentafluorophenyl)amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.069986093 u |
| Formula |
C13H8F5N5 |
| InChI |
InChI=1S/C13H8F5N5/c1-3-19-11-12(20-3)21-4(2)22-13(11)23-10-8(17)6(15)5(14)7(16)9(10)18/h1-2H3,(H2,19,20,21,22,23) |
| InChIKey |
SJFBGOVOKGVZJU-UHFFFAOYSA-N |
| Molecular Weight |
329.234 g/mol |
| SMILES |
C=12C(=NC(=N2)C)N=C(NC1NC=1C(=C(F)C(=C(C1F)F)F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934514 |
