2-(4-Acetyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone (C21 H24 O8)

bmse010216 Data

Entry STAR file: bmse010216.str

NMR-STAR interactive viewer

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 404.41046

This is of the category: b-O-4 Dimers, 2-Carbon Sidechain

Concentration: Saturated (Source: Larry L. Landucci)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

2-(4-Acetyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.431
C2A3OMe56.331
C3A5OMe56.331
C4B3OMe56.331
C5B5OMe56.331
C6A4OMe60.941
C11B74.821
C9A2105.871
C10A6105.871
C7B2105.871
C8B6105.871
C14A1129.991
C13B1132.671
C21B4140.751
C20A4142.941
C18B3152.531
C19B5152.531
C16A3153.121
C17A5153.121
C15A193.281
C12BA196.711
H32BB2.591
H31BB2.591
H30BB2.591
H33A3OMe3.921
H34A3OMe3.921
H35A3OMe3.921
H36A5OMe3.921
H37A5OMe3.921
H38A5OMe3.921
H39B3OMe3.881
H41B3OMe3.881
H40B3OMe3.881
H43B5OMe3.881
H42B5OMe3.881
H44B5OMe3.881
H45A4OMe3.911
H47A4OMe3.911
H46A4OMe3.911
H52B5.291
H53B5.291
H50A27.311
H51A67.311
H48B27.221
H49B67.221

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.551
C2A3OMe56.611
C3A5OMe56.611
C4B3OMe56.661
C5B5OMe56.661
C6A4OMe60.671
C11B75.431
C9A2106.811
C10A6106.811
C7B2106.951
C8B6106.951
C14A1131.211
C13B1133.621
C21B4141.681
C20A4143.881
C18B3153.611
C19B5153.611
C16A3154.231
C17A5154.231
C15A193.811
C12BA196.701

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.521
C2A3OMe56.041
C3A5OMe56.041
C4B3OMe56.091
C5B5OMe56.091
C6A4OMe60.081
C11B74.151
C9A2105.521
C10A6105.521
C7B2105.841
C8B6105.841
C14A1129.691
C13B1132.051
C21B4140.241
C20A4142.151
C18B3152.041
C19B5152.041
C16A3152.801
C17A5152.801
C15A193.111
C12BA196.611