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

*Links on SpectraBase are not permalinks.

Methyl tetra-p-nitrobenzate-.beta.-o-galactopyranoside

View entire compound with spectra: 1 NMR

Methyl tetra-p-nitrobenzate-.beta.-o-galactopyranoside
SpectraBase Compound ID 84bIea0NWeH
InChI InChI=1S/C35H26N4O18/c1-52-35-30(57-34(43)22-8-16-26(17-9-22)39(50)51)29(56-33(42)21-6-14-25(15-7-21)38(48)49)28(55-32(41)20-4-12-24(13-5-20)37(46)47)27(54-35)18-53-31(40)19-2-10-23(11-3-19)36(44)45/h2-17,27-30,35H,18H2,1H3/t27-,28+,29-,30-,35?/m1/s1
InChIKey XODXZPPQHSVFIK-ZJZDAZSDSA-N
Mol Weight 790.6 g/mol
Molecular Formula C35H26N4O18
Exact Mass 790.12421 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 GqZ1Jmc2uyt
Name Methyl tetra-p-nitrobenzate-.beta.-o-galactopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 790.124209995 u
Formula C35H26N4O18
InChI InChI=1S/C35H26N4O18/c1-52-35-30(57-34(43)22-8-16-26(17-9-22)39(50)51)29(56-33(42)21-6-14-25(15-7-21)38(48)49)28(55-32(41)20-4-12-24(13-5-20)37(46)47)27(54-35)18-53-31(40)19-2-10-23(11-3-19)36(44)45/h2-17,27-30,35H,18H2,1H3/t27-,28+,29-,30-,35?/m1/s1
InChIKey XODXZPPQHSVFIK-ZJZDAZSDSA-N
Molecular Weight 790.603 g/mol
SMILES [C@]1([C@](OC([C@@]([C@@]1(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C1=CC=C(N(=O)=O)C=C1)[H])OC)(COC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H]