| SpectraBase Spectrum ID |
JF5dJeAo1Pl |
| Name |
1,8-Octanediol, 2,6-dimethyl-, 8-acetate 1-(4-methylbenzenesulfonate), [S-(R*,S*)]- |
| CAS Registry Number |
98244-62-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
c1(S(OC[C@](CCC[C@](CCOC(=O)C)(C)[H])(C)[H])(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-05fr-0902000000-1da02b38bd3dfc56d2f6 |
| Source of Spectrum |
F-42-6691-5 |
| Synonyms |
(2S,6R)-(+)-2,6-dimethyl-8-acetoxyoctyl tosylate
(3R,7S)-3,7-dimethyl-8-{[(4-methylphenyl)sulfonyl]oxy}octyl acetate |
| Wiley ID |
1354170 |
![1,8-Octanediol, 2,6-dimethyl-, 8-acetate 1-(4-methylbenzenesulfonate), [S-(R*,S*)]-](/api/spectrum/JF5dJeAo1Pl/structure.png?h=300&w=458 "1,8-Octanediol, 2,6-dimethyl-, 8-acetate 1-(4-methylbenzenesulfonate), [S-(R*,S*)]-")
