| SpectraBase Spectrum ID |
5zSNx5MBeQE |
| Name |
2-[(trifluoromethyl)thio]-3-(4-methoxyphenyl)propanoic acid ethyl ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15F3O3S |
| InChI |
InChI=1S/C13H15F3O3S/c1-3-19-12(17)11(20-13(14,15)16)8-9-4-6-10(18-2)7-5-9/h4-7,11H,3,8H2,1-2H3 |
| InChIKey |
IOSKOOGHLGXEAW-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
308.315 g/mol |
| Quality |
58 |
| Reported Formula |
C13H15O3F3S |
| SMILES |
C(SC(C(=O)OCC)CC1=CC=C(C=C1)OC)(F)(F)F |
| SPLASH |
splash10-00di-0910000000-9e4a185f61b09a9e78b3 |
| Source of Spectrum |
QE-22-SM21-2o (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905010 |
![2-[(trifluoromethyl)thio]-3-(4-methoxyphenyl)propanoic acid ethyl ester](/api/spectrum/5zSNx5MBeQE/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-(4-methoxyphenyl)propanoic acid ethyl ester")
