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Methyl 2,3,4-tribenzyl-6-p-nitrobenzoyl-.beta.-D-galactopyranoside

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Methyl 2,3,4-tribenzyl-6-p-nitrobenzoyl-.beta.-D-galactopyranoside
SpectraBase Compound ID 1l21pxWDYNW
InChI InChI=1S/C35H35NO9/c1-40-35-33(43-23-27-15-9-4-10-16-27)32(42-22-26-13-7-3-8-14-26)31(41-21-25-11-5-2-6-12-25)30(45-35)24-44-34(37)28-17-19-29(20-18-28)36(38)39/h2-20,30-33,35H,21-24H2,1H3/t30-,31+,32+,33-,35-/m1/s1
InChIKey VSNKKSZGZWROOR-ATFNGGABSA-N
Mol Weight 613.7 g/mol
Molecular Formula C35H35NO9
Exact Mass 613.231182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLKNc874Ivr
Name Methyl 2,3,4-tribenzyl-6-p-nitrobenzoyl-.beta.-D-galactopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 613.231181702 u
Formula C35H35NO9
InChI InChI=1S/C35H35NO9/c1-40-35-33(43-23-27-15-9-4-10-16-27)32(42-22-26-13-7-3-8-14-26)31(41-21-25-11-5-2-6-12-25)30(45-35)24-44-34(37)28-17-19-29(20-18-28)36(38)39/h2-20,30-33,35H,21-24H2,1H3/t30-,31+,32+,33-,35-/m1/s1
InChIKey VSNKKSZGZWROOR-ATFNGGABSA-N
Molecular Weight 613.663 g/mol
SMILES [C@]1([C@](O[C@]([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OC)[H])(COC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OCC1=CC=CC=C1)[H]