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1-o-Acetyl-2-o-benzyl-3,5-di-o-p-nitrobenzoyl-D-arabinose

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1-o-Acetyl-2-o-benzyl-3,5-di-o-p-nitrobenzoyl-D-arabinose
SpectraBase Compound ID GSJJ4GyFFoU
InChI InChI=1S/C28H24N2O12/c1-17(31)40-28-25(38-15-18-5-3-2-4-6-18)24(42-27(33)20-9-13-22(14-10-20)30(36)37)23(41-28)16-39-26(32)19-7-11-21(12-8-19)29(34)35/h2-14,23-25,28H,15-16H2,1H3/t23-,24-,25+,28-/m1/s1
InChIKey HSYWTYOUGVFAPZ-YKKMPQLRSA-N
Mol Weight 580.5 g/mol
Molecular Formula C28H24N2O12
Exact Mass 580.132924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTfD5FODCH
Name 1-o-Acetyl-2-o-benzyl-3,5-di-o-p-nitrobenzoyl-D-arabinose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.132924209 u
Formula C28H24N2O12
InChI InChI=1S/C28H24N2O12/c1-17(31)40-28-25(38-15-18-5-3-2-4-6-18)24(42-27(33)20-9-13-22(14-10-20)30(36)37)23(41-28)16-39-26(32)19-7-11-21(12-8-19)29(34)35/h2-14,23-25,28H,15-16H2,1H3/t23-,24-,25+,28-/m1/s1
InChIKey HSYWTYOUGVFAPZ-YKKMPQLRSA-N
Molecular Weight 580.502 g/mol
SMILES [C@]1([C@@]([C@@](COC(=O)C2=CC=C(C=C2)N(=O)=O)(O[C@]1(OC(C)=O)[H])[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OCC1=CC=CC=C1)[H]