2-(3,4-Dimethoxyphenyl)-7-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran (C21 H26 O4)

bmse010234 Data

Entry STAR file: bmse010234.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: 342.42874

This is of the category: b-5 Dimers

Concentration: Saturated (Source: John R. Obst)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

2-(3,4-Dimethoxyphenyl)-7-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.901
C2G17.471
C6BB25.061
C7BA38.091
C13B45.771
C3OMe55.924
C4OMe55.924
C5OMe56.004
C20A93.481
C12A2109.621
C9A5110.881
C11B2111.901
C10B6115.441
C8A6119.221
C16B5132.901
C15A1132.951
C14B1136.301
C21B4143.871
C19B3145.421
C18A3149.101
C17A4149.161
H27BG0.961
H26BG0.961
H28BG0.961
H31G1.371
H29G1.371
H30G1.371
H41BB1.641
H42BB1.641
H43BA2.551
H44BA2.551
H50B4.451
H34OMe3.864
H33OMe3.864
H32OMe3.864
H37OMe3.874
H36OMe3.874
H35OMe3.874
H39OMe3.884
H38OMe3.884
H40OMe3.884
H51A5.091
H48B26.591
H47B66.621
H46A56.831
H45A66.961
H49A27.001

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG14.081
C2G17.901
C6BB25.741
C7BA38.531
C13B46.471
C3OMe56.121
C4OMe56.121
C5OMe56.411
C20A93.581
C12A2111.031
C9A5112.571
C11B2113.621
C10B6116.401
C8A6119.681
C16B5134.071
C15A1134.251
C14B1136.691
C21B4144.801
C19B3146.571
C18A3150.401
C17A4150.491

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BG13.661
C2G17.181
C6BB24.531
C7BA37.281
C13B44.871
C3OMe55.474
C4OMe55.474
C5OMe55.664
C20A92.111
C12A2110.011
C9A5111.581
C11B2112.281
C10B6115.371
C8A6118.851
C16B5132.491
C15A1132.861
C14B1135.461
C21B4143.341
C19B3144.921
C18A3148.831
C17A4148.831