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

*Links on SpectraBase are not permalinks.

1-Acetyl-2,3-di-p-nitrobenzoyl-4-benzoyl-.alpha.-L-arabinopyranose

View entire compound with spectra: 1 NMR

1-Acetyl-2,3-di-p-nitrobenzoyl-4-benzoyl-.alpha.-L-arabinopyranose
SpectraBase Compound ID atH8qXMhPr
InChI InChI=1S/C28H22N2O13/c1-16(31)40-28-24(43-27(34)19-9-13-21(14-10-19)30(37)38)23(42-26(33)18-7-11-20(12-8-18)29(35)36)22(15-39-28)41-25(32)17-5-3-2-4-6-17/h2-14,22-24,28H,15H2,1H3/t22-,23-,24+,28-/m0/s1
InChIKey ICPAUVZWNPEOFV-UKWMHNODSA-N
Mol Weight 594.49 g/mol
Molecular Formula C28H22N2O13
Exact Mass 594.112189 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 3fRKVJ3bn4X
Name 1-Acetyl-2,3-di-p-nitrobenzoyl-4-benzoyl-.alpha.-L-arabinopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.112188763 u
Formula C28H22N2O13
InChI InChI=1S/C28H22N2O13/c1-16(31)40-28-24(43-27(34)19-9-13-21(14-10-19)30(37)38)23(42-26(33)18-7-11-20(12-8-18)29(35)36)22(15-39-28)41-25(32)17-5-3-2-4-6-17/h2-14,22-24,28H,15H2,1H3/t22-,23-,24+,28-/m0/s1
InChIKey ICPAUVZWNPEOFV-UKWMHNODSA-N
Molecular Weight 594.485 g/mol
SMILES C1O[C@]([C@@]([C@]([C@]1(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C)[H]