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(2R,3R)-2,3-Dihydroxy-3-methylpentyl p-toluenesulfonate
SpectraBase Compound ID GWt1dZPtFMl
InChI InChI=1S/C13H20O5S/c1-4-13(3,15)12(14)9-18-19(16,17)11-7-5-10(2)6-8-11/h5-8,12,14-15H,4,9H2,1-3H3/t12-,13-/m1/s1
InChIKey OPNOKYIHIDGKCD-CHWSQXEVSA-N
Mol Weight 288.36 g/mol
Molecular Formula C13H20O5S
Exact Mass 288.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZDQDErweJR
Name (2R,3R)-2,3-Dihydroxy-3-methylpentyl p-toluenesulfonate
Alternate Name(s) (2R)-2,3-dihydroxy-3-methylpentyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5S
InChI InChI=1S/C13H20O5S/c1-4-13(3,15)12(14)9-18-19(16,17)11-7-5-10(2)6-8-11/h5-8,12,14-15H,4,9H2,1-3H3/t12-,13-/m1/s1
InChIKey OPNOKYIHIDGKCD-CHWSQXEVSA-N
Literature Reference DOI 10.1002/prac.19913330610
Molecular Weight 288.358 g/mol
SMILES O[C@@]([C@](CC)(C)O)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-00di-9240000000-32f314b2837f8e83b506
Source of Spectrum JF-333-886-9a
Wiley ID 1789703