| SpectraBase Spectrum ID |
7cxvO0T2QVV |
| Name |
(3S)-5-keto-3-[4-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21F3O2S |
| InChI |
InChI=1S/C17H21F3O2S/c1-11(21)9-13(10-15(22)23-16(2,3)4)12-5-7-14(8-6-12)17(18,19)20/h5-8,13H,9-10H2,1-4H3/t13-/m0/s1 |
| InChIKey |
ZGJGHMBETHDSQE-ZDUSSCGKSA-N |
| Molecular Weight |
346.408 g/mol |
| SMILES |
C(C[C@](CC(C)=O)(c1ccc(cc1)C(F)(F)F)[H])(=O)SC(C)(C)C |
| SPLASH |
splash10-0a4j-0590000000-83895194085e41375708 |
| Source of Spectrum |
F-68-10055-7 |
| Synonyms |
(3S)-5-oxo-3-[4-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester
S-tert-butyl (3S)-5-oxidanylidene-3-[4-(trifluoromethyl)phenyl]hexanethioate |
| Wiley ID |
1574010 |
![(3S)-5-keto-3-[4-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester](/api/spectrum/7cxvO0T2QVV/structure.png?h=300&w=458 "(3S)-5-keto-3-[4-(trifluoromethyl)phenyl]hexanethioic acid S-tert-butyl ester")
