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Acetic acid, 2,3,5-triacetoxy-4-benzyloxy-6,6-bis(ethylthio)hexyl ester
SpectraBase Compound ID 5vSCrwjnAcn
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/t21-,22-,23-,24-/m1/s1
InChIKey QKRYBYSFNZOEEJ-MOUTVQLLSA-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 IcOBjAHCudS
Name Acetic acid, 2,3,5-triacetoxy-4-benzyloxy-6,6-bis(ethylthio)hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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/t21-,22-,23-,24-/m1/s1
InChIKey QKRYBYSFNZOEEJ-MOUTVQLLSA-N
Molecular Weight 544.674 g/mol
SMILES C(=O)(OC[C@@](OC(=O)C)([C@@](OC(=O)C)([C@@](OCc1ccccc1)([C@@](OC(=O)C)(C(SCC)SCC)[H])[H])[H])[H])C
SPLASH splash10-0006-9320000000-dc9ee44eddeeffad7b4b
Synonyms Acetic acid [2,3,5-triacetyloxy-6,6-bis(ethylthio)-4-phenylmethoxyhexyl] ester [2,3,5-triacetyloxy-6,6-bis(ethylsulfanyl)-4-phenylmethoxyhexyl] acetate [2,3,5-triacetoxy-4-benzyloxy-6,6-bis(ethylsulfanyl)hexyl] acetate [2,3,5-triacetyloxy-6,6-bis(ethylsulfanyl)-4-phenylmethoxy-hexyl] ethanoate
Wiley ID 1487248