| SpectraBase Spectrum ID |
758q6LFWfs |
| Name |
(E)-8-[3-(tert-Butyl)hept-2-en-1-yl]-6-phenyl-9-[4-(trifluoromethyl)phenyl]-9H-purine |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.250081503 u |
| Formula |
C29H31F3N4 |
| InChI |
InChI=1S/C29H31F3N4/c1-5-6-12-21(28(2,3)4)15-18-24-35-26-25(20-10-8-7-9-11-20)33-19-34-27(26)36(24)23-16-13-22(14-17-23)29(30,31)32/h7-11,13-17,19H,5-6,12,18H2,1-4H3/b21-15+ |
| InChIKey |
SXUDEHAMLXVMKX-RCCKNPSSSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709087 |
| Molecular Weight |
492.590 g/mol |
| Reported Formula |
C29H32N4F3 |
| SMILES |
C(C)(\C(=C\CC=1N(C2=C(N1)C(=NC=N2)C1=CC=CC=C1)C1=CC=C(C=C1)C(F)(F)F)CCCC)(C)C |
| SPLASH |
splash10-002g-0003900000-73e1ec9c2a13abfcc25c |
| Source of Spectrum |
ACI-56-SM15-3la (DOI: 10.1002/anie.201709087) |
| Wiley ID |
1896615 |
![(E)-8-[3-(tert-Butyl)hept-2-en-1-yl]-6-phenyl-9-[4-(trifluoromethyl)phenyl]-9H-purine](/api/spectrum/758q6LFWfs/structure.png?h=300&w=458 "(E)-8-[3-(tert-Butyl)hept-2-en-1-yl]-6-phenyl-9-[4-(trifluoromethyl)phenyl]-9H-purine")
