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ACETIC ACID, 2,3,5-TRIACETOXY-4-BENZYLOXY-6,6-BISETHYLSULFANYLHEXYL ESTER
SpectraBase Compound ID 3H1NgMUHnmS
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
Mol Weight 544.7 g/mol
Molecular Formula C25H36O9S2
Exact Mass 544.180075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QrQBEuexez
Name ACETIC ACID, 2,3,5-TRIACETOXY-4-BENZYLOXY-6,6-BISETHYLSULFANYLHEXYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 544.1791
SMILES C(=O)(C)OCC(C(C(C(C(SCC)SCC)OC(=O)C)OCc1ccccc1)OC(=O)C)OC(=O)C
SPLASH splash10-0006-9320000000-b17f8753a98a5c1513ca
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany