| SpectraBase Spectrum ID |
9s9RTuOfHzy |
| Name |
2-[(trifluoromethyl)thio]-3-phenylpropanoic acid benzyl ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15F3O2S |
| InChI |
InChI=1S/C17H15F3O2S/c18-17(19,20)23-15(11-13-7-3-1-4-8-13)16(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 |
| InChIKey |
ZSDFCSDULAABJL-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
340.360 g/mol |
| Quality |
123 |
| Reported Formula |
C17H15F3O2S |
| SMILES |
C(SC(C(=O)OCC1=CC=CC=C1)CC1=CC=CC=C1)(F)(F)F |
| SPLASH |
splash10-0006-9400000000-77fd2ba7c41b88e0612c |
| Source of Spectrum |
QE-22-SM17-2b (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1904998 |
![2-[(trifluoromethyl)thio]-3-phenylpropanoic acid benzyl ester](/api/spectrum/9s9RTuOfHzy/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-phenylpropanoic acid benzyl ester")
