| SpectraBase Spectrum ID |
Lfe8VusHxYu |
| Name |
3-(Phenylthio)cyclohexane-1,2-dione |
| CAS Registry Number |
90047-36-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O2S |
| InChI |
InChI=1S/C12H12O2S/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2 |
| InChIKey |
RVQROJVJTFCGQL-UHFFFAOYSA-N |
| Molecular Weight |
220.286 g/mol |
| SMILES |
C1(C(Sc2ccccc2)CCCC1=O)=O |
| SPLASH |
splash10-03xr-3950000000-54ed5599e8fbddd0110e |
| Source of Spectrum |
J-49-2359-0 |
| Synonyms |
3-(Phenylsulfanyl)-1,2-cyclohexanedione |
| Wiley ID |
1219627 |
