| SpectraBase Spectrum ID |
K2CnjUtONFo |
| Name |
2-[(trifluoromethyl)thio]-3-phenylpropanoic acid ethyl ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.058835320 u |
| Formula |
C12H13F3O2S |
| InChI |
InChI=1S/C12H13F3O2S/c1-2-17-11(16)10(18-12(13,14)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey |
IYVNJLWCJZYFDI-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
278.289 g/mol |
| Quality |
41 |
| Reported Formula |
C12H13F3O2S |
| SMILES |
C(SC(C(=O)OCC)CC1=CC=CC=C1)(F)(F)F |
| SPLASH |
splash10-0006-9200000000-53176c0f9e9ac58a427c |
| Source of Spectrum |
QE-22-SM16-2a (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1904997 |
![2-[(trifluoromethyl)thio]-3-phenylpropanoic acid ethyl ester](/api/spectrum/K2CnjUtONFo/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-phenylpropanoic acid ethyl ester")
