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Methyl 4,6-O-benzylidene-3-O-tosyl-.alpha.,D-mannopyranoside
SpectraBase Compound ID EYhy6JbNydX
InChI InChI=1S/C21H24O8S/c1-13-8-10-15(11-9-13)30(23,24)29-19-17(22)21(25-2)27-16-12-26-20(28-18(16)19)14-6-4-3-5-7-14/h3-11,16-22H,12H2,1-2H3/t16-,17+,18-,19-,20?,21+/m1/s1
InChIKey ILVUHCKVCFKMOA-XLSXTYDTSA-N
Mol Weight 436.48 g/mol
Molecular Formula C21H24O8S
Exact Mass 436.119189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEYsu9m9jwq
Name Methyl 4,6-O-benzylidene-3-O-tosyl-.alpha.,D-mannopyranoside
Alternate Name(s) methyl 4,6-O-benzylidene-3-O-[(4-methylphenyl)sulfonyl]-.alpha.-D-mannopyranoside
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O8S
InChI InChI=1S/C21H24O8S/c1-13-8-10-15(11-9-13)30(23,24)29-19-17(22)21(25-2)27-16-12-26-20(28-18(16)19)14-6-4-3-5-7-14/h3-11,16-22H,12H2,1-2H3/t16-,17+,18-,19-,20?,21+/m1/s1
InChIKey ILVUHCKVCFKMOA-XLSXTYDTSA-N
Molecular Weight 436.475 g/mol
SMILES O[C@]1([C@@](OS(c2ccc(cc2)C)(=O)=O)([C@@]2(OC(c3ccccc3)OC[C@]2(O[C@@]1(OC)[H])[H])[H])[H])[H]
SPLASH splash10-0a4r-0900500000-6d6bcd58d6ebbd4c2b31
Source of Spectrum E1-39-2886-35
Wiley ID 1519237