| SpectraBase Spectrum ID |
BDtn6g4UKnf |
| Name |
4-Chloro-2-((2-chlorophenyl)thio)phenyl trifluoromethanesulfonate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.916576319 u |
| Formula |
C13H7Cl2F3O3S2 |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C13H7Cl2F3O3S2/c14-8-5-6-10(21-23(19,20)13(16,17)18)12(7-8)22-11-4-2-1-3-9(11)15/h1-7H |
| InChIKey |
WCPFUOYMJUDAEZ-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 |
403.217 g/mol |
| Quality |
244 |
| Reported Formula |
C13H7O3Cl2F3S2 |
| SMILES |
C=1C=C(C(=CC1Cl)SC1=CC=CC=C1Cl)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-001i-1190200000-0ee33f3af0b2b2001620 |
| Source of Spectrum |
ACI-57-SM17-36 (DOI: 10.1002/anie.201806036) |
| Thin-Layer Chromatography |
0.47 (hexane/EtOAc, 95:5) |
| Wiley ID |
1893396 |
