| SpectraBase Spectrum ID |
F7HfrA19nmS |
| Name |
(3S)-5-keto-3-[3-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester |
| Alternate Name(s) |
(3S)-5-oxo-3-[3-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester
S-tert-butyl (3S)-5-oxidanylidene-3-[3-(trifluoromethyl)phenyl]hexanethioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21F3O2S |
| InChI |
InChI=1S/C17H21F3O2S/c1-11(21)8-13(10-15(22)23-16(2,3)4)12-6-5-7-14(9-12)17(18,19)20/h5-7,9,13H,8,10H2,1-4H3/t13-/m0/s1 |
| InChIKey |
IFYURZBWYGCYKQ-ZDUSSCGKSA-N |
| Molecular Weight |
346.408 g/mol |
| SMILES |
C(C[C@](CC(C)=O)(c1cc(ccc1)C(F)(F)F)[H])(=O)SC(C)(C)C |
| SPLASH |
splash10-0a4j-0690000000-9c4e6d561b43bdb8db13 |
| Source of Spectrum |
F-68-10055-7 |
| Wiley ID |
1574009 |
![(3S)-5-keto-3-[3-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester](/api/spectrum/F7HfrA19nmS/structure.png?h=300&w=458 "(3S)-5-keto-3-[3-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester")
