| SpectraBase Spectrum ID |
GQIaeOiy0Hb |
| Name |
(E)-6-Chloro-9-(3,3,3-trifluoroprop-1-en-1-yl)-9H-purine |
| Appearance |
Colorless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.007658334 u |
| Formula |
C8H4ClF3N4 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C8H4ClF3N4/c9-6-5-7(14-3-13-6)16(4-15-5)2-1-8(10,11)12/h1-4H/b2-1+ |
| InChIKey |
DYGLJKYPWFTJBI-OWOJBTEDSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
248.596 g/mol |
| Quality |
471 |
| Reported Formula |
C8H4F3N4Cl |
| SMILES |
C1(Cl)=C2C(=NC=N1)N(C=N2)\C=C\C(F)(F)F |
| SPLASH |
splash10-0101-2690000000-173edf1dc72e5bbe04ec |
| Source of Spectrum |
QE-27-SM45-42 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.38 (hexanes/EtOAc, 3:1) |
| Wiley ID |
1904251 |
