| SpectraBase Spectrum ID |
A33ioeFUco8 |
| Name |
(3S)-3-(4-chlorophenyl)-5-keto-hexanethioic acid S-tert-butyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21ClO2S |
| InChI |
InChI=1S/C16H21ClO2S/c1-11(18)9-13(10-15(19)20-16(2,3)4)12-5-7-14(17)8-6-12/h5-8,13H,9-10H2,1-4H3/t13-/m0/s1 |
| InChIKey |
ZSKGMLUKDWLSHB-ZDUSSCGKSA-N |
| Molecular Weight |
312.855 g/mol |
| SMILES |
C(C[C@](CC(C)=O)(c1ccc(cc1)Cl)[H])(=O)SC(C)(C)C |
| SPLASH |
splash10-01ic-1940000000-6af29c3e21603bfee291 |
| Source of Spectrum |
F-68-10055-7 |
| Synonyms |
(3S)-3-(4-chlorophenyl)-5-oxohexanethioic acid S-tert-butyl ester
S-tert-butyl (3S)-3-(4-chlorophenyl)-5-oxidanylidene-hexanethioate
S-tert-butyl (3S)-3-(4-chlorophenyl)-5-oxohexanethioate |
| Wiley ID |
1574014 |
