| SpectraBase Spectrum ID |
1qt3pWYkCA9 |
| Name |
Benzenebutanoic acid, .gamma.-oxo-.alpha.-(trifluoromethyl)-, ethyl ester |
| Alternate Name(s) |
Ethyl 4-oxo-4-phenyl-2-(trifluoromethyl)butanoate
Ethyl 4-phenyl-2-(trifluoromethyl)-4-oxobutanoate |
| CAS Registry Number |
126459-93-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13F3O3 |
| InChI |
InChI=1S/C13H13F3O3/c1-2-19-12(18)10(13(14,15)16)8-11(17)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey |
RJUOLLSGKPQRGN-UHFFFAOYSA-N |
| Molecular Weight |
274.239 g/mol |
| SMILES |
C(C(F)(F)F)(CC(=O)c1ccccc1)C(=O)OCC |
| SPLASH |
splash10-0a4i-1910000000-c4b7e302b45aef01c99b |
| Source of Spectrum |
J-55-3386-5 |
| Wiley ID |
1277817 |
