| SpectraBase Spectrum ID |
JYajHAvAmfu |
| Name |
Acetic acid, 2,3,5-triacetoxy-4-benzyloxy-6,6-bisethylsulfanylhexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
544.180075078 u |
| Formula |
C25H36O9S2 |
| InChI |
InChI=1S/C25H36O9S2/c1-7-35-25(36-8-2)24(34-19(6)29)23(31-14-20-12-10-9-11-13-20)22(33-18(5)28)21(32-17(4)27)15-30-16(3)26/h9-13,21-25H,7-8,14-15H2,1-6H3 |
| InChIKey |
QKRYBYSFNZOEEJ-UHFFFAOYSA-N |
| Molecular Weight |
544.674 g/mol |
| SMILES |
C(OCC(OC(C)=O)C(OC(C)=O)C(OCc1ccccc1)C(OC(C)=O)C(SCC)SCC)(C)=O |
