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.alpha.-D-Glucopyranoside, methyl 6-deoxy-, 2-benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

.alpha.-D-Glucopyranoside, methyl 6-deoxy-, 2-benzoate
SpectraBase Compound ID LZ9ZuNN5IWy
InChI InChI=1S/C14H18O6/c1-8-10(15)11(16)12(14(18-2)19-8)20-13(17)9-6-4-3-5-7-9/h3-8,10-12,14-16H,1-2H3/t8-,10-,11+,12-,14+/m1/s1
InChIKey WJPDVYLRKICOIW-CGUBKOMSSA-N
Mol Weight 282.29 g/mol
Molecular Formula C14H18O6
Exact Mass 282.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwRxJGJosSp
Name .alpha.-D-Glucopyranoside, methyl 6-deoxy-, 2-benzoate
Comments Computed using HOSE algorithm
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Exact Mass 282.110338294 u
Formula C14H18O6
InChI InChI=1S/C14H18O6/c1-8-10(15)11(16)12(14(18-2)19-8)20-13(17)9-6-4-3-5-7-9/h3-8,10-12,14-16H,1-2H3/t8-,10-,11+,12-,14+/m1/s1
InChIKey WJPDVYLRKICOIW-CGUBKOMSSA-N
SMILES [C@@]1([C@]([C@](O)([C@](O[C@@]1(OC)[H])(C)[H])[H])(O)[H])(OC(=O)C=1C=CC=CC1)[H]