For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,3,5-tri-p-Nitrobenzoyl-.alpha.-D-arabinofuranoside

View entire compound with spectra: 1 NMR

1,3,5-tri-p-Nitrobenzoyl-.alpha.-D-arabinofuranoside
SpectraBase Compound ID 5Rm6GMOHK1f
InChI InChI=1S/C26H19N3O14/c30-21-22(42-24(32)15-3-9-18(10-4-15)28(36)37)20(13-40-23(31)14-1-7-17(8-2-14)27(34)35)41-26(21)43-25(33)16-5-11-19(12-6-16)29(38)39/h1-12,20-22,26,30H,13H2/t20-,21+,22-,26-/m1/s1
InChIKey WYUQPNNNTQDGDF-UXGLMHHASA-N
Mol Weight 597.45 g/mol
Molecular Formula C26H19N3O14
Exact Mass 597.086702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DksqpsBoQL5
Name 1,3,5-tri-p-Nitrobenzoyl-.alpha.-D-arabinofuranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.086702290 u
Formula C26H19N3O14
InChI InChI=1S/C26H19N3O14/c30-21-22(42-24(32)15-3-9-18(10-4-15)28(36)37)20(13-40-23(31)14-1-7-17(8-2-14)27(34)35)41-26(21)43-25(33)16-5-11-19(12-6-16)29(38)39/h1-12,20-22,26,30H,13H2/t20-,21+,22-,26-/m1/s1
InChIKey WYUQPNNNTQDGDF-UXGLMHHASA-N
Molecular Weight 597.445 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])(O)[H]