2-(4-Acetyl-2-methoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone (C20 H22 O7)

bmse010215 Data

Entry STAR file: bmse010215.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: 374.38448

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-methoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.231
C2BOMe56.011
C3A3OMe56.321
C4A5OMe56.321
C5A4OMe60.961
C11B71.571
C9A2105.791
C10A6105.791
C8B2110.851
C7B5112.271
C6B6122.871
C14A1129.331
C13B1131.481
C20A4143.441
C17B3149.311
C16B4151.491
C18A3153.231
C19A5153.231
C15A192.681
C12BA196.641
H28BB2.541
H29BB2.541
H30BB2.541
H32BOMe3.951
H31BOMe3.951
H33BOMe3.951
H34A3OMe3.921
H36A3OMe3.921
H35A3OMe3.921
H39A5OMe3.921
H38A5OMe3.921
H37A5OMe3.921
H42A4OMe3.931
H40A4OMe3.931
H41A4OMe3.931
H48B5.391
H49B5.391
H46A27.471
H47A67.471
H45B27.631
H44B56.801
H43B67.521

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.301
C2BOMe56.281
C3A3OMe56.641
C4A5OMe56.641
C5A4OMe60.701
C11B71.841
C9A2106.701
C10A6106.701
C8B2112.101
C7B5113.401
C6B6123.391
C14A1130.741
C13B1131.981
C20A4144.211
C17B3150.231
C16B4152.981
C18A3154.341
C19A5154.341
C15A193.341
C12BA196.321

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BB26.251
C2BOMe55.581
C3A3OMe56.121
C4A5OMe56.121
C5A4OMe60.131
C11B70.481
C9A2105.571
C10A6105.571
C8B2110.841
C7B5112.241
C6B6122.561
C14A1129.401
C13B1130.241
C20A4142.451
C17B3148.521
C16B4151.611
C18A3152.851
C19A5152.851
C15A192.761
C12BA196.191