| SpectraBase Spectrum ID |
5D1E2fFop6 |
| Name |
9-(4-Bromophenyl)-2,6-bis(trifluoromethyl)-9H-purine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H5BrF6N4 |
| InChI |
InChI=1S/C13H5BrF6N4/c14-6-1-3-7(4-2-6)24-5-21-8-9(12(15,16)17)22-11(13(18,19)20)23-10(8)24/h1-5H |
| InChIKey |
VVOHUEAAGWHSPI-UHFFFAOYSA-N |
| Molecular Weight |
411.105 g/mol |
| SMILES |
c12c(c(C(F)(F)F)nc(n2)C(F)(F)F)nc[n]1-c1ccc(cc1)Br |
| SPLASH |
splash10-03di-0000900000-758810057ac6ea65dd48 |
| Source of Spectrum |
F-67-8328-10i |
| Wiley ID |
1690946 |
