| SpectraBase Spectrum ID |
4zOgxCTtgzt |
| Name |
Ethyl 3-(phenylthio)-2-methyl-4-(3-oxo-6,6-dimethylcyclohexyl)but-2-enoate (E) |
| Alternate Name(s) |
Ethyl (2E)-4-(2,2-dimethyl-5-oxocyclohexyl)-2-methyl-3-(phenylsulfanyl)-2-butenoate |
| CAS Registry Number |
105090-12-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3S |
| InChI |
InChI=1S/C21H28O3S/c1-5-24-20(23)15(2)19(25-18-9-7-6-8-10-18)14-16-13-17(22)11-12-21(16,3)4/h6-10,16H,5,11-14H2,1-4H3/b19-15+ |
| InChIKey |
ARMGAXYHFSXBKV-XDJHFCHBSA-N |
| Molecular Weight |
360.512 g/mol |
| SMILES |
C(\C(=C/(CC1C(CCC(C1)=O)(C)C)Sc1ccccc1)C)(=O)OCC |
| SPLASH |
splash10-004i-9840000000-7bd3adc49dbb9b2e39f4 |
| Source of Spectrum |
J-52-117-0 |
| Wiley ID |
1348420 |
