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Methyl 2,3-di-o-benzyl-6-nitro-.beta.,D-arabinopyranoside
SpectraBase Compound ID HshzZmLj3o7
InChI InChI=1S/C21H25NO7/c1-26-21-20(28-14-16-10-6-3-7-11-16)19(18(23)17(29-21)12-22(24)25)27-13-15-8-4-2-5-9-15/h2-11,17-21,23H,12-14H2,1H3/t17?,18-,19-,20+,21-/m1/s1
InChIKey PSRJHRDLVOKVRI-VCDOQTMRSA-N
Mol Weight 403.43 g/mol
Molecular Formula C21H25NO7
Exact Mass 403.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6azwmLAhbW
Name Methyl 2,3-di-o-benzyl-6-nitro-.beta.,D-arabinopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 403.163102142 u
Formula C21H25NO7
InChI InChI=1S/C21H25NO7/c1-26-21-20(28-14-16-10-6-3-7-11-16)19(18(23)17(29-21)12-22(24)25)27-13-15-8-4-2-5-9-15/h2-11,17-21,23H,12-14H2,1H3/t17?,18-,19-,20+,21-/m1/s1
InChIKey PSRJHRDLVOKVRI-VCDOQTMRSA-N
Molecular Weight 403.431 g/mol
SMILES [C@]1([C@@]([C@](O)(C(O[C@]1(OC)[H])CN(=O)=O)[H])(OCC=1C=CC=CC1)[H])(OCC=1C=CC=CC1)[H]