| SpectraBase Spectrum ID |
5tWe5CfFAQm |
| Name |
3,4-Bis(4-trifluoromethylphenyl)-2,5-dinitrohexane |
| Appearance |
Colourless crystal |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18F6N2O4 |
| InChI |
InChI=1S/C20H18F6N2O4/c1-11(27(29)30)17(13-3-7-15(8-4-13)19(21,22)23)18(12(2)28(31)32)14-5-9-16(10-6-14)20(24,25)26/h3-12,17-18H,1-2H3 |
| InChIKey |
UIQIXCMAVCZGEO-UHFFFAOYSA-N |
| Instrument Name |
Varian 1400 and 3400/GC-8A-Finnigan MAT CH7A and MAT 8230 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.11.131 |
| Molecular Weight |
464.364 g/mol |
| Reported Formula |
C20H18F6N2O4 |
| SMILES |
C(c1ccc(cc1)C(C(C)[N+](=O)[O-])C(C(C)[N+](=O)[O-])c1ccc(C(F)(F)F)cc1)(F)(F)F |
| SPLASH |
splash10-00kr-0900000000-32676ccb6e157e5bd0d9 |
| Sample Comments |
dr = 7:14:3:1:2 |
| Source of Spectrum |
BJO-11-SM19-20 |
| Wiley ID |
1851473 |
