| SpectraBase Spectrum ID |
9V6H8miS4bi |
| Name |
(3S)-3-(3-fluorophenyl)-5-keto-hexanethioic acid S-tert-butyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21FO2S |
| InChI |
InChI=1S/C16H21FO2S/c1-11(18)8-13(10-15(19)20-16(2,3)4)12-6-5-7-14(17)9-12/h5-7,9,13H,8,10H2,1-4H3/t13-/m0/s1 |
| InChIKey |
MHZJJDLJVYNDEA-ZDUSSCGKSA-N |
| Molecular Weight |
296.400 g/mol |
| SMILES |
C(C[C@](CC(C)=O)(c1cc(ccc1)F)[H])(=O)SC(C)(C)C |
| SPLASH |
splash10-0pb9-0690000000-964475dc5f54b5ca30c0 |
| Source of Spectrum |
F-68-10055-7 |
| Synonyms |
(3S)-3-(3-fluorophenyl)-5-oxohexanethioic acid S-tert-butyl ester
S-tert-butyl (3S)-3-(3-fluorophenyl)-5-oxidanylidene-hexanethioate
S-tert-butyl (3S)-3-(3-fluorophenyl)-5-oxohexanethioate |
| Wiley ID |
1574011 |
