| SpectraBase Spectrum ID |
K2hUC2CqLGo |
| Name |
1,8-Octanediol, 2,6-dimethyl-, 8-acetate 1-(4-methylbenzenesulfonate), [S-(R*,S*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.181395235 u |
| Formula |
C19H30O5S |
| InChI |
InChI=1S/C19H30O5S/c1-15(12-13-23-18(4)20)6-5-7-17(3)14-24-25(21,22)19-10-8-16(2)9-11-19/h8-11,15,17H,5-7,12-14H2,1-4H3/t15-,17+/m1/s1 |
| InChIKey |
PDGSWDJMMKGQPH-WBVHZDCISA-N |
| Molecular Weight |
370.504 g/mol |
| SMILES |
C=1(S(OC[C@](CCC[C@](CCOC(=O)C)(C)[H])(C)[H])(=O)=O)C=CC(=CC1)C |
![1,8-Octanediol, 2,6-dimethyl-, 8-acetate 1-(4-methylbenzenesulfonate), [S-(R*,S*)]-](/api/spectrum/K2hUC2CqLGo/structure.png?h=300&w=458 "1,8-Octanediol, 2,6-dimethyl-, 8-acetate 1-(4-methylbenzenesulfonate), [S-(R*,S*)]-")
