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(2R*,3S*,4R*)-2,4-Dimethyl-5-(toluene-p-sulfonyloxy)penane-1,3-diol
SpectraBase Compound ID haOqQfdA0g
InChI InChI=1S/C14H22O5S/c1-10-4-6-13(7-5-10)20(17,18)19-9-12(3)14(16)11(2)8-15/h4-7,11-12,14-16H,8-9H2,1-3H3/t11-,12-,14+/m0/s1
InChIKey FAOOAYJSFPCMLB-SGMGOOAPSA-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 EHBdBbFYGW0
Name (2R*,3S*,4R*)-2,4-Dimethyl-5-(toluene-p-sulfonyloxy)penane-1,3-diol
Alternate Name(s) (2S*,3R*,4S*)-2,4-Dimethyl-5-(p-toluenesulfonyloxy)pentane-1,3-diol 4-Methylbenzenesulfonic acid [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethylpentyl] ester [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethylpentyl] 4-methylbenzenesulfonate [(2S,3R,4S)-3,5-dihydroxy-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate [(2S,3R,4S)-2,4-dimethyl-3,5-bis(oxidanyl)pentyl] 4-methylbenzenesulfonate
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Formula C14H22O5S
InChI InChI=1S/C14H22O5S/c1-10-4-6-13(7-5-10)20(17,18)19-9-12(3)14(16)11(2)8-15/h4-7,11-12,14-16H,8-9H2,1-3H3/t11-,12-,14+/m0/s1
InChIKey FAOOAYJSFPCMLB-SGMGOOAPSA-N
Molecular Weight 302.385 g/mol
SMILES OC[C@@]([C@]([C@](COS(c1ccc(cc1)C)(=O)=O)(C)[H])(O)[H])(C)[H]
SPLASH splash10-0abc-9000000000-0182989503de3ee04e79
Source of Spectrum KC-0-2656-14
Wiley ID 825943