Toluene-4-sulfonic acid (S)-4-benzyloxymethyl-2,2-dimethyl-[1,3]dioxan-5-yl ester

SpectraBase Compound ID	6OD7FsoZvAE
InChI	InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)27-20-15-25-21(2,3)26-19(20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20?/m0/s1
InChIKey	WKPITQUGBKRNLD-XJDOXCRVSA-N Google Search
Mol Weight	406.49 g/mol
Molecular Formula	C21H26O6S
Exact Mass	406.14501 g/mol

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SpectraBase Spectrum ID	3UUncWEmdxX
Name	Toluene-4-sulfonic acid (S)-4-benzyloxymethyl-2,2-dimethyl-[1,3]dioxan-5-yl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	406.145009725 u
Formula	C21H26O6S
InChI	InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)27-20-15-25-21(2,3)26-19(20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20?/m0/s1
InChIKey	WKPITQUGBKRNLD-XJDOXCRVSA-N
Molecular Weight	406.493 g/mol
SMILES	C1(OS(C=2C=CC(=CC2)C)(=O)=O)[C@@](OC(OC1)(C)C)(COCC1=CC=CC=C1)[H]