| SpectraBase Spectrum ID |
EAAi3CmNOp1 |
| Name |
(3S)-3-(4-Fluorophenyl)-5-keto-hexanethioic acid S-tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.124629251 u |
| Formula |
C16H21FO2S |
| InChI |
InChI=1S/C16H21FO2S/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 |
ZRMVQUNDPRWFQF-ZDUSSCGKSA-N |
| Molecular Weight |
296.400 g/mol |
| SMILES |
C(SC(C)(C)C)(C[C@@](C=1C=CC(=CC1)F)(CC(=O)C)[H])=O |
