| SpectraBase Spectrum ID |
5s4r2vDc4kg |
| Name |
3-Phenylpropanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester |
| Alternate Name(s) |
3-Phenylpropionic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16F6O4S |
| InChI |
InChI=1S/C19H16F6O4S/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)30(27,28)9-8-29-17(26)7-6-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2 |
| InChIKey |
ZCDFJQAUHDPMOB-UHFFFAOYSA-N |
| Molecular Weight |
454.383 g/mol |
| SMILES |
C(CCc1ccccc1)(=O)OCCS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SPLASH |
splash10-0bt9-5950000000-0bfc8e16473e535f58f6 |
| Source of Spectrum |
CV-2003-283-4 |
| Wiley ID |
1610785 |
![3-Phenylpropanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester](/api/spectrum/5s4r2vDc4kg/structure.png?h=300&w=458 "3-Phenylpropanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester")
