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(2S,4S)-2,4-Dihydroxy-2-methylpentyl-Toluene-p-sulfonate
SpectraBase Compound ID Lhy4lJhX7EL
InChI InChI=1S/C13H20O5S/c1-10-4-6-12(7-5-10)19(16,17)18-9-13(3,15)8-11(2)14/h4-7,11,14-15H,8-9H2,1-3H3/t11-,13+/m1/s1
InChIKey SKXJIFOONZIHFW-YPMHNXCESA-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 m4qYP7QrZ4
Name (2S,4S)-2,4-Dihydroxy-2-methylpentyl-Toluene-p-sulfonate
Alternate Name(s) 2,4-Dihydroxy-2-methylpentyl-Toluene-p-sulfonate 3,5-Dideoxy-2-C-methyl-1-O-[(4-methylphenyl)sulfonyl]-D-threo-pentitol 4-Methylbenzenesulfonic acid[(2S,4R)-2,4-dihydroxy-2-methyl-pentyl]ester [(2S,4R)-2,4-dihydroxy-2-methyl-pentyl]4-methylbenzenesulfonate [(2S,4R)-2-methyl-2,4-bis(oxidanyl)pentyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxy-2-methylpentyl] ester [(2S,4R)-2,4-dihydroxy-2-methylpentyl] 4-methylbenzenesulfonate [(2S,4R)-2,4-dihydroxy-2-methyl-pentyl] 4-methylbenzenesulfonate [(2S,4R)-2-methyl-2,4-bis(oxidanyl)pentyl] 4-methylbenzenesulfonate
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Formula C13H20O5S
InChI InChI=1S/C13H20O5S/c1-10-4-6-12(7-5-10)19(16,17)18-9-13(3,15)8-11(2)14/h4-7,11,14-15H,8-9H2,1-3H3/t11-,13+/m1/s1
InChIKey SKXJIFOONZIHFW-YPMHNXCESA-N
Molecular Weight 288.358 g/mol
SMILES O[C@@](C[C@@](COS(c1ccc(cc1)C)(=O)=O)(O)C)(C)[H]
SPLASH splash10-0btl-9300000000-325ff2d6c5c6f2f4543d
Source of Spectrum H-2005-2681-14
Wiley ID 1562963