| SpectraBase Spectrum ID |
GEcfI3hXtmr |
| Name |
N-(1-(3,5-bis(trifluoromethyl)phenyl)-1-cyano-3,3,3-trifluoropropyl)-1,1,1-trifluoro-methanesulfonamide |
| Appearance |
Yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.995836569 u |
| Formula |
C13H6F12N2O2S |
| InChI |
InChI=1S/C13H6F12N2O2S/c14-10(15,16)4-9(5-26,27-30(28,29)13(23,24)25)6-1-7(11(17,18)19)3-8(2-6)12(20,21)22/h1-3,27H,4H2 |
| InChIKey |
SXYUCQPMGJIZAI-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202201830 |
| Molecular Weight |
482.244 g/mol |
| Quality |
354 |
| Reported Formula |
C13H6O2N2F12S |
| SMILES |
N(C(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)(CC(F)(F)F)C#N)S(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-0006-1094100000-bfa3033b4cbafaa72eca |
| Source of Spectrum |
QE-28-SM18-7k (DOI: 10.1002/chem.202201830) |
| Wiley ID |
1900632 |
