(E,E)-(+-)-8-Butyryloxymethyl-2-toxyloxymethyl-1,4,7,10-tetraoxaspiro[5.5]undecane

SpectraBase Compound ID	9IVJKAbxhUV
InChI	InChI=1S/C20H28O9S/c1-3-4-19(21)26-11-16-9-24-13-20(28-16)14-25-10-17(29-20)12-27-30(22,23)18-7-5-15(2)6-8-18/h5-8,16-17H,3-4,9-14H2,1-2H3
InChIKey	QQTPALILBJPHRU-UHFFFAOYSA-N Google Search
Mol Weight	444.5 g/mol
Molecular Formula	C20H28O9S
Exact Mass	444.145404 g/mol

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SpectraBase Spectrum ID	98JSMRcWBGv
Name	(E,E)-(+-)-8-Butyryloxymethyl-2-toxyloxymethyl-1,4,7,10-tetraoxaspiro[5.5]undecane
Alternate Name(s)	[8-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1,4,7,10-tetraoxaspiro[5.5]undec-2-yl]methyl butyrate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H28O9S
InChI	InChI=1S/C20H28O9S/c1-3-4-19(21)26-11-16-9-24-13-20(28-16)14-25-10-17(29-20)12-27-30(22,23)18-7-5-15(2)6-8-18/h5-8,16-17H,3-4,9-14H2,1-2H3
InChIKey	QQTPALILBJPHRU-UHFFFAOYSA-N
Molecular Weight	444.495 g/mol
SMILES	C(OS(c1ccc(cc1)C)(=O)=O)C1OC2(OC(COC(=O)CCC)COC2)COC1
SPLASH	splash10-00di-9100000000-000863a222e34bcee3ac
Source of Spectrum	F-49-2627-6
Wiley ID	1385886