12,13-Dioxatricyclo[7.3.1.0(1,6)]tridecane-8-carboxylic acid, 6-methyl-5-{[4-methylphenyl)sulfonyl]oxy}-, methyl ester

SpectraBase Compound ID	92faFS1JTVm
InChI	InChI=1S/C21H28O7S/c1-14-6-8-15(9-7-14)29(23,24)28-18-5-4-11-21-20(18,2)13-16(19(22)25-3)17(27-21)10-12-26-21/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKey	UJECMWCZHJHZAG-UHFFFAOYSA-N Google Search
Mol Weight	424.51 g/mol
Molecular Formula	C21H28O7S
Exact Mass	424.155574 g/mol

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SpectraBase Spectrum ID	DwYyqBxKeHx
Name
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C21H28O7S
InChI	InChI=1S/C21H28O7S/c1-14-6-8-15(9-7-14)29(23,24)28-18-5-4-11-21-20(18,2)13-16(19(22)25-3)17(27-21)10-12-26-21/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKey	UJECMWCZHJHZAG-UHFFFAOYSA-N
Molecular Weight	424.1548
SMILES	c1(S(OC2C3(CC(C(OC)=O)C4OC3(OCC4)CCC2)C)(=O)=O)ccc(C)cc1
SPLASH	splash10-0udi-9750000000-fa24afe7c3f1e0429c51
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany