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[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID CflF9Fd3Wis
InChI InChI=1S/C14H20O6S/c1-10-4-6-11(7-5-10)21(16,17)18-9-13-12(8-15)19-14(2,3)20-13/h4-7,12-13,15H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKey OKTMEOCGDWUZIU-STQMWFEESA-N
Mol Weight 316.37 g/mol
Molecular Formula C14H20O6S
Exact Mass 316.09806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F71S3zpspwo
Name [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
CAS Registry Number 58789-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O6S
InChI InChI=1S/C14H20O6S/c1-10-4-6-11(7-5-10)21(16,17)18-9-13-12(8-15)19-14(2,3)20-13/h4-7,12-13,15H,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKey OKTMEOCGDWUZIU-STQMWFEESA-N
Molecular Weight 316.368 g/mol
SMILES OC[C@@]1(OC(O[C@]1(COS(c1ccc(cc1)C)(=O)=O)[H])(C)C)[H]
SPLASH splash10-0zfu-9526000000-c6ebb66045ead5d9955c
Source of Spectrum B-35-2073-0
Synonyms 4-Methylbenzenesulfonic acid [(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
Wiley ID 112391