| SpectraBase Spectrum ID |
4J7SlzCY7O0 |
| Name |
(4S)-4-methyl-3-isovalerylthio-2-hexanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H22O2S |
| InChI |
InChI=1S/C12H22O2S/c1-6-9(4)12(10(5)13)15-11(14)7-8(2)3/h8-9,12H,6-7H2,1-5H3/t9-,12?/m0/s1 |
| InChIKey |
KSXZLGLKCDBZCV-QHGLUPRGSA-N |
| Ionization Type |
EI |
| Molecular Weight |
230.366 g/mol |
| SMILES |
CC(C([C@](CC)(C)[H])SC(=O)CC(C)C)=O |
| SPLASH |
splash10-000i-9200000000-2ced59ed70ac6e8264ce |
| Sample Comments |
Diastereomeric mixture |
| Source of Spectrum |
JP2010100570A |
| Wiley ID |
1841998 |
