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3-{5'-Methyl-4'-[(3"-methylsulfonyloxy)propyloxy]-3-{[3"-(methylsulfonyloxy)propyloxy]methyl}-hexan-2'-yloxy}propyl methanesulfonate
SpectraBase Compound ID 4hT7HcheiiE
InChI InChI=1S/C20H42O12S3/c1-19(2)20(29-14-9-17-32-35(5,25)26,18-28-13-8-16-31-34(4,23)24)10-6-11-27-12-7-15-30-33(3,21)22/h19H,6-18H2,1-5H3
InChIKey JQKBVEVLAJMZLE-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C20H42O12S3
Exact Mass 570.18384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPIcWbamnWt
Name 3-{5'-Methyl-4'-[(3"-methylsulfonyloxy)propyloxy]-3-{[3"-(methylsulfonyloxy)propyloxy]methyl}-hexan-2'-yloxy}propyl methanesulfonate
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Formula C20H42O12S3
InChI InChI=1S/C20H42O12S3/c1-19(2)20(29-14-9-17-32-35(5,25)26,18-28-13-8-16-31-34(4,23)24)10-6-11-27-12-7-15-30-33(3,21)22/h19H,6-18H2,1-5H3
InChIKey JQKBVEVLAJMZLE-UHFFFAOYSA-N
Molecular Weight 570.724 g/mol
SMILES C(OS(=O)(=O)C)CCOC(C(C)C)(COCCCOS(=O)(=O)C)CCCOCCCOS(=O)(=O)C
SPLASH splash10-007d-1974000000-9abac4df389e54dc05e5
Source of Spectrum H-76-2429-17
Synonyms 8-isopropyl-8-{3-[(methylsulfonyl)oxy]propoxy}-15,15-dioxido-4,10,14-trioxa-15-thiahexadec-1-yl methanesulfonate
Wiley ID 1407668