| SpectraBase Spectrum ID |
CNj0ib6Efxp |
| Name |
2-[(trifluoromethyl)thio]-3-(4-cyanophenyl)propanoic acid ethyl ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.054084291 u |
| Formula |
C13H12F3NO2S |
| InChI |
InChI=1S/C13H12F3NO2S/c1-2-19-12(18)11(20-13(14,15)16)7-9-3-5-10(8-17)6-4-9/h3-6,11H,2,7H2,1H3 |
| InChIKey |
SSKNNMJGJWJKPI-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
303.299 g/mol |
| Quality |
48 |
| Reported Formula |
C13H12F3NO2S |
| SMILES |
C(SC(C(=O)OCC)CC1=CC=C(C=C1)C#N)(F)(F)F |
| SPLASH |
splash10-0v4i-0950000000-d444a8004554f7679b58 |
| Source of Spectrum |
QE-22-SM22-2q (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905012 |
![2-[(trifluoromethyl)thio]-3-(4-cyanophenyl)propanoic acid ethyl ester](/api/spectrum/CNj0ib6Efxp/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-(4-cyanophenyl)propanoic acid ethyl ester")
