| SpectraBase Spectrum ID |
8HMKCZiwHy1 |
| Name |
methyl-4-[(trifluoromethyl)thio]benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.011885126 u |
| Formula |
C9H7F3O2S |
| GC Column |
HP-5 (30 m x 320 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C9H7F3O2S/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3 |
| InChIKey |
HQJOBVILQKWFGJ-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503915 |
| Molecular Weight |
236.208 g/mol |
| Quality |
276 |
| Reported Formula |
C9H7F3O2S |
| SMILES |
C1=CC(=CC=C1C(OC)=O)SC(F)(F)F |
| SPLASH |
splash10-0a4r-0090000000-6d8e66c3052314c69bf2 |
| Source of Spectrum |
QE-21-SM25-2f (DOI: 10.1002/chem.201503915) |
| Wiley ID |
1907359 |
![methyl-4-[(trifluoromethyl)thio]benzoate](/api/spectrum/8HMKCZiwHy1/structure.png?h=300&w=458 "methyl-4-[(trifluoromethyl)thio]benzoate")
