| SpectraBase Spectrum ID |
8Il9uE3wrI |
| Name |
(cis)-3,5-Dimethyl-3-(2-(phenylsulfonyl)ethyl)cyclohexanone |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.128965739 u |
| Formula |
C16H22O3S |
| InChI |
InChI=1S/C16H22O3S/c1-13-10-14(17)12-16(2,11-13)8-9-20(18,19)15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3/t13-,16-/m1/s1 |
| InChIKey |
WVGYLIGHVHWDKJ-CZUORRHYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701865 |
| Molecular Weight |
294.409 g/mol |
| Quality |
41 |
| Reported Formula |
C16H22O3S |
| SMILES |
C[C@]1(C[C@](CC(C1)=O)(CCS(C1=CC=CC=C1)(=O)=O)C)[H] |
| SPLASH |
splash10-004i-0900000000-dca86939e504bc6f1b05 |
| Sample Comments |
cis/trans = 83:17 |
| Source of Spectrum |
QE-23-SM16-3k-cis (DOI: 10.1002/chem.201701865) |
| Wiley ID |
1905573 |
