[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

SpectraBase Compound ID	bG684NDQYE
InChI	InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)25-15-20-19(26-21(2,3)27-20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20-/m1/s1
InChIKey	FPAPIFXWWVBCHH-WOJBJXKFSA-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	B3r0J7B8Ay0
Name	[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Alternate Name(s)	4-methylbenzenesulfonic acid [(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methyl ester [(4R,5R)-5-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
CAS Registry Number	78469-78-0
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26O6S
InChI	InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)25-15-20-19(26-21(2,3)27-20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20-/m1/s1
InChIKey	FPAPIFXWWVBCHH-WOJBJXKFSA-N
Molecular Weight	406.493 g/mol
SMILES	C(OS(c1ccc(cc1)C)(=O)=O)[C@]1(OC(C)(C)O[C@@]1(COCc1ccccc1)[H])[H]
SPLASH	splash10-0006-0009100000-422026e33a252cdd6b2b
Source of Spectrum	H-64-696-0
Wiley ID	1372072