| SpectraBase Spectrum ID |
9OBpAOS6wY4 |
| Name |
[4-[(4-chlorophenyl)methylsulfanyl]-3-(trifluoromethyl)phenyl] trifluoromethanesulfonate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.958583173 u |
| Formula |
C15H9ClF6O3S2 |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C15H9ClF6O3S2/c16-10-3-1-9(2-4-10)8-26-13-6-5-11(7-12(13)14(17,18)19)25-27(23,24)15(20,21)22/h1-7H,8H2 |
| InChIKey |
OEQWCMMTQQHJOO-UHFFFAOYSA-N |
| Inlet Type |
Split injector |
| Instrument Name |
Agilent Technologies 7820A GC-5975 series MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201806036 |
| Molecular Weight |
450.797 g/mol |
| Quality |
153 |
| Reported Formula |
C15H9O3ClF6S2 |
| SMILES |
C=1C=C(C=C(C1SCC1=CC=C(C=C1)Cl)C(F)(F)F)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-004i-1900000000-de2bdfa5300273060230 |
| Source of Spectrum |
ACI-57-SM18-37 (DOI: 10.1002/anie.201806036) |
| Thin-Layer Chromatography |
0.25 (Pentane, 100%) |
| Wiley ID |
1893397 |
![[4-[(4-chlorophenyl)methylsulfanyl]-3-(trifluoromethyl)phenyl] trifluoromethanesulfonate](/api/spectrum/9OBpAOS6wY4/structure.png?h=300&w=458 "[4-[(4-chlorophenyl)methylsulfanyl]-3-(trifluoromethyl)phenyl] trifluoromethanesulfonate")
