| SpectraBase Spectrum ID |
JTWD4ayajs8 |
| Name |
Methyl 3-hydroxy-2-(p-toluenesulfonyloxy)methyl-12-tetrahydropyranyloxydodecanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.260039478 u |
| Formula |
C26H42O8S |
| InChI |
InChI=1S/C26H42O8S/c1-21-14-16-22(17-15-21)35(29,30)34-20-23(26(28)31-2)24(27)12-8-6-4-3-5-7-10-18-32-25-13-9-11-19-33-25/h14-17,23-25,27H,3-13,18-20H2,1-2H3 |
| InChIKey |
VBMJCNBODDKIPP-UHFFFAOYSA-N |
| Molecular Weight |
514.674 g/mol |
| SMILES |
C(OS(C=1C=CC(=CC1)C)(=O)=O)C(C(=O)OC)C(O)CCCCCCCCCOC1OCCCC1 |
