| SpectraBase Spectrum ID |
B5X9SVBPJIb |
| Name |
4-((4-Chlorobenzyl)thio)-3-methylphenyltrifluoromethanesulfonate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.986848780 u |
| Formula |
C15H12ClF3O3S2 |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C15H12ClF3O3S2/c1-10-8-13(22-24(20,21)15(17,18)19)6-7-14(10)23-9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3 |
| InChIKey |
XCFGIYUYFSNSJU-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 |
396.826 g/mol |
| Quality |
169 |
| Reported Formula |
C15H12O3ClF3S2 |
| SMILES |
C=1C=C(C=C(C1SCC1=CC=C(C=C1)Cl)C)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-004i-1901000000-d63c6b2cba66bd60c6cf |
| Source of Spectrum |
ACI-57-SM19-40 (DOI: 10.1002/anie.201806036) |
| Thin-Layer Chromatography |
0.32 (Pentane, 100%) |
| Wiley ID |
1893400 |
