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1,2,3,5-Tetra-o-p-nitrobenzoyl-.beta.-D-ribofuranose

View entire compound with spectra: 1 NMR

1,2,3,5-Tetra-o-p-nitrobenzoyl-.beta.-D-ribofuranose
SpectraBase Compound ID 57LhFiSAH3Q
InChI InChI=1S/C33H22N4O17/c38-29(18-1-9-22(10-2-18)34(42)43)50-17-26-27(52-30(39)19-3-11-23(12-4-19)35(44)45)28(53-31(40)20-5-13-24(14-6-20)36(46)47)33(51-26)54-32(41)21-7-15-25(16-8-21)37(48)49/h1-16,26-28,33H,17H2/t26-,27-,28-,33+/m1/s1
InChIKey DTEAPXMMPJJDGT-NPJKBUODSA-N
Mol Weight 746.5 g/mol
Molecular Formula C33H22N4O17
Exact Mass 746.097995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxJF8PxQNpL
Name 1,2,3,5-Tetra-o-p-nitrobenzoyl-.beta.-D-ribofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 746.097995247 u
Formula C33H22N4O17
InChI InChI=1S/C33H22N4O17/c38-29(18-1-9-22(10-2-18)34(42)43)50-17-26-27(52-30(39)19-3-11-23(12-4-19)35(44)45)28(53-31(40)20-5-13-24(14-6-20)36(46)47)33(51-26)54-32(41)21-7-15-25(16-8-21)37(48)49/h1-16,26-28,33H,17H2/t26-,27-,28-,33+/m1/s1
InChIKey DTEAPXMMPJJDGT-NPJKBUODSA-N
Molecular Weight 746.550 g/mol
SMILES [C@@]1([C@@]([C@@](COC(C2=CC=C(C=C2)N(=O)=O)=O)(O[C@]1(OC(C1=CC=C(C=C1)N(=O)=O)=O)[H])[H])(OC(C1=CC=C(C=C1)N(=O)=O)=O)[H])(OC(C1=CC=C(C=C1)N(=O)=O)=O)[H]