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1,6-ANHYDRO-4-DEOXY-4-METHYL-2-O-PARA-TOLYLSULFONYL-BETA-D-LYXOPYRANOS-3-ULOSE
SpectraBase Compound ID 3MmntaodXoy
InChI InChI=1S/C14H16O6S/c1-8-3-5-10(6-4-8)21(16,17)20-13-12(15)9(2)11-7-18-14(13)19-11/h3-6,9,11,13-14H,7H2,1-2H3/t9-,11+,13-,14+/m0/s1
InChIKey XJKIIVXRNFDLTL-PCGAWMICSA-N
Mol Weight 312.34 g/mol
Molecular Formula C14H16O6S
Exact Mass 312.066759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FIeUUDoFRB
Name 1,6-Anhydro-4-deoxy-4-methyl-2-[O-(p-tolylsulfonyl)]-.beta.-D-lyxopyranos-3-ulose
Alternate Name(s) 4-Methylbenzenesulfonic acid [(1S,2S,4R,5R)-2-methyl-3-oxo-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester [(1S,2S,4R,5R)-2-methyl-3-oxo-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate [(1S,2S,4R,5R)-2-methyl-3-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate
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Formula C14H16O6S
InChI InChI=1S/C14H16O6S/c1-8-3-5-10(6-4-8)21(16,17)20-13-12(15)9(2)11-7-18-14(13)19-11/h3-6,9,11,13-14H,7H2,1-2H3/t9-,11+,13-,14+/m0/s1
InChIKey XJKIIVXRNFDLTL-PCGAWMICSA-N
Molecular Weight 312.336 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C([C@@](C)([C@@]2(O[C@]1(OC2)[H])[H])[H])=O)[H]
SPLASH splash10-0bt9-9600000000-30732edcbefc2eec73a3
Source of Spectrum H-2005-4561-17
Wiley ID 1587869