| SpectraBase Spectrum ID |
53gqxVgdS5h |
| Name |
2-(2,5-dimethylphenyl)sulfanylcyclohexan-1-one |
| Alternate Name(s) |
2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone
2-[(2,5-dimethylphenyl)thio]-1-cyclohexanone
2-[(2,5-Dimethylphenyl)thio]cyclohexanone |
| CAS Registry Number |
21339-63-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18OS |
| InChI |
InChI=1S/C14H18OS/c1-10-7-8-11(2)14(9-10)16-13-6-4-3-5-12(13)15/h7-9,13H,3-6H2,1-2H3 |
| InChIKey |
IBSBIAGIAJEYLX-UHFFFAOYSA-N |
| Molecular Weight |
234.357 g/mol |
| SMILES |
Cc1c(SC2C(CCCC2)=O)cc(C)cc1 |
| SPLASH |
splash10-0019-0890000000-c15e3703698f01136e7c |
| Source of Spectrum |
Y-20-1493-0 |
| Wiley ID |
1236043 |
