| SpectraBase Spectrum ID |
Higc6Yqz1tV |
| Name |
trans-6-[(2,2-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]cyclohexanone |
| Alternate Name(s) |
(5S,6R)-2,2-dimethyl-6-neopentyl-5-[(phenylsulfanyl)methyl]cyclohexanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30OS |
| InChI |
InChI=1S/C20H30OS/c1-19(2,3)13-17-15(11-12-20(4,5)18(17)21)14-22-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3/t15-,17-/m1/s1 |
| InChIKey |
WRJNTZHEQJKBSL-NVXWUHKLSA-N |
| Molecular Weight |
318.519 g/mol |
| SMILES |
C1([C@](CC(C)(C)C)([C@@](CSc2ccccc2)(CCC1(C)C)[H])[H])=O |
| SPLASH |
splash10-02t9-2459000000-a9c773e20b077537dd62 |
| Source of Spectrum |
C-118-9839-0 |
| Wiley ID |
759985 |
![trans-6-[(2,2-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]cyclohexanone](/api/spectrum/Higc6Yqz1tV/structure.png?h=300&w=458 "trans-6-[(2,2-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]cyclohexanone")
