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Methyl 4,6-O-benzylidene-2-O-benzenesulfonyl-.alpha.,D-Glcpyranoside
SpectraBase Compound ID DucC1uwzNDp
InChI InChI=1S/C20H22O8S/c1-24-20-18(28-29(22,23)14-10-6-3-7-11-14)16(21)17-15(26-20)12-25-19(27-17)13-8-4-2-5-9-13/h2-11,15-21H,12H2,1H3/t15-,16+,17-,18-,19-,20-/m1/s1
InChIKey IEFZTSFEEXZNNJ-DNDRQTMDSA-N
Mol Weight 422.45 g/mol
Molecular Formula C20H22O8S
Exact Mass 422.103539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e0SrZw4GFm
Name Methyl 4,6-O-benzylidene-2-O-benzenesulfonyl-.alpha.,D-Glcpyranoside
Comments Less than 3 mono-isotopic peaks
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Formula C20H22O8S
InChI InChI=1S/C20H22O8S/c1-24-20-18(28-29(22,23)14-10-6-3-7-11-14)16(21)17-15(26-20)12-25-19(27-17)13-8-4-2-5-9-13/h2-11,15-21H,12H2,1H3/t15-,16+,17-,18-,19-,20-/m1/s1
InChIKey IEFZTSFEEXZNNJ-DNDRQTMDSA-N
Molecular Weight 422.448 g/mol
SMILES O[C@]1([C@@]2(O[C@](c3ccccc3)(OC[C@]2(O[C@]([C@@]1(OS(=O)(=O)c1ccccc1)[H])(OC)[H])[H])[H])[H])[H]
SPLASH splash10-0a4i-0900000000-8ee4f8852c571dda62c5
Source of Spectrum E1-39-2886-28
Wiley ID 1519246