| SpectraBase Spectrum ID |
J7kbKw7sKoZ |
| Name |
Cyclohexanone, 3-(1,1-dimethylethyl)-5-(phenylthio)-, (3S-trans)- |
| Alternate Name(s) |
(3S,5R)-3-tert-butyl-5-(phenylsulfanyl)cyclohexanone |
| CAS Registry Number |
97590-68-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22OS |
| InChI |
InChI=1S/C16H22OS/c1-16(2,3)12-9-13(17)11-15(10-12)18-14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t12-,15+/m0/s1 |
| InChIKey |
TZUONTFMUZGFKB-SWLSCSKDSA-N |
| Molecular Weight |
262.411 g/mol |
| SMILES |
[C@@]1(C(C)(C)C)(CC(=O)C[C@@](C1)(Sc1ccccc1)[H])[H] |
| SPLASH |
splash10-06r2-9200000000-ec0a3dbe723f6883d1cc |
| Source of Spectrum |
J-50-4181-24 |
| Wiley ID |
1266084 |
