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(2R,3R)-2,3-Dihydroxy-3-methylhexyl p-toluenesulfonate
SpectraBase Compound ID HXPucRVVR10
InChI InChI=1S/C14H22O5S/c1-4-9-14(3,16)13(15)10-19-20(17,18)12-7-5-11(2)6-8-12/h5-8,13,15-16H,4,9-10H2,1-3H3/t13-,14-/m1/s1
InChIKey HCPNGSHMARLONB-ZIAGYGMSSA-N
Mol Weight 302.38 g/mol
Molecular Formula C14H22O5S
Exact Mass 302.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfvuyFssVC6
Name (2R,3R)-2,3-Dihydroxy-3-methylhexyl p-toluenesulfonate
Alternate Name(s) (2R)-2,3-dihydroxy-3-methylhexyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O5S
InChI InChI=1S/C14H22O5S/c1-4-9-14(3,16)13(15)10-19-20(17,18)12-7-5-11(2)6-8-12/h5-8,13,15-16H,4,9-10H2,1-3H3/t13-,14-/m1/s1
InChIKey HCPNGSHMARLONB-ZIAGYGMSSA-N
Molecular Weight 302.385 g/mol
SMILES O[C@@]([C@](CCC)(C)O)(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-000i-9110000000-501ca85944ab2f917fbc
Source of Spectrum JF-333-886-9b
Wiley ID 1789704