| SpectraBase Spectrum ID |
3tmCxiPGZqL |
| Name |
2-[(trifluoromethyl)thio]-3-(2-fluorophenyl)propanoic acid ethyl ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.049413450 u |
| Formula |
C12H12F4O2S |
| InChI |
InChI=1S/C12H12F4O2S/c1-2-18-11(17)10(19-12(14,15)16)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3 |
| InChIKey |
ACQBCUIKPXLGKS-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
296.280 g/mol |
| Quality |
98 |
| Reported Formula |
C12H12F4O2S |
| SMILES |
C(SC(C(=O)OCC)CC1=C(C=CC=C1)F)(F)(F)F |
| SPLASH |
splash10-052b-0900000000-908bd12a97b3fd718409 |
| Source of Spectrum |
QE-22-SM23-2s (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905014 |
![2-[(trifluoromethyl)thio]-3-(2-fluorophenyl)propanoic acid ethyl ester](/api/spectrum/3tmCxiPGZqL/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-(2-fluorophenyl)propanoic acid ethyl ester")
