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3-O-Benzyl-5,6-O-thiocarbonyl-1,2-O-isopropylidene-.alpha.,D-glucofuranose
SpectraBase Compound ID 8sVUoXRTBYm
InChI InChI=1S/C17H18O7S/c1-17(2)23-13-12(21-14(18)9-6-4-3-5-7-9)11(22-15(13)24-17)10-8-19-16(25)20-10/h3-7,10-13,15H,8H2,1-2H3/t10?,11?,12?,13-,15-/m1/s1
InChIKey XTKCTQUXDCMSGH-BZTRVDRMSA-N
Mol Weight 366.38 g/mol
Molecular Formula C17H18O7S
Exact Mass 366.077324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2W2qc2slDh
Name 3-O-Benzyl-5,6-O-thiocarbonyl-1,2-O-isopropylidene-.alpha.,D-glucofuranose
Comments Less than 3 mono-isotopic peaks
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Formula C17H18O7S
InChI InChI=1S/C17H18O7S/c1-17(2)23-13-12(21-14(18)9-6-4-3-5-7-9)11(22-15(13)24-17)10-8-19-16(25)20-10/h3-7,10-13,15H,8H2,1-2H3/t10?,11?,12?,13-,15-/m1/s1
InChIKey XTKCTQUXDCMSGH-BZTRVDRMSA-N
Molecular Weight 366.384 g/mol
SMILES [C@]12(C(C(C3OC(=S)OC3)O[C@@]1(OC(O2)(C)C)[H])OC(=O)c1ccccc1)[H]
SPLASH splash10-0gb9-0009000000-fbc66ad5736711ac8d00
Source of Spectrum E1-44-1472-2
Wiley ID 1553470