Dehydrodiisoeugenol (C20 H22 O4)

bmse010228 Data

Entry STAR file: bmse010228.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: 326.38628

This is of the category: b-5 Dimers

Concentration: 300 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Dehydrodiisoeugenol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2G17.601
C1BG18.341
C12B45.621
C3OMe55.971
C4OMe55.971
C19A93.761
C11A2108.971
C10B2109.401
C8A5113.361
C9B6114.141
C7A6119.911
C5BB123.411
C6BA130.981
C14A1132.111
C15B5132.221
C13B1133.301
C20B4144.151
C16A4145.821
C18B3146.621
C17A3146.711
H30G1.371
H29G1.371
H28G1.371
H25BG1.871
H26BG1.871
H27BG1.871
H44B3.441
H31OMe3.854
H32OMe3.854
H33OMe3.854
H34OMe3.884
H35OMe3.884
H36OMe3.884
H45A5.091
H37BB6.111
H38BA6.361
H42B26.761
H41B66.781
H40A56.881
H39A66.801
H43A26.971

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2G17.861
C1BG18.421
C12B46.211
C3OMe56.254
C4OMe56.334
C19A93.961
C11A2110.661
C10B2111.061
C8A5114.301
C9B6115.551
C7A6120.211
C5BB123.221
C6BA132.051
C14A1132.811
C15B5132.831
C13B1134.431
C20B4145.031
C16A4147.531
C18B3147.721
C17A3148.361

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2G17.251
C1BG18.061
C12B44.511
C3OMe55.594
C4OMe55.614
C19A92.551
C11A2109.741
C10B2110.581
C8A5113.291
C9B6115.231
C7A6119.251
C5BB122.601
C6BA130.681
C14A1130.931
C15B5131.391
C13B1133.301
C20B4143.611
C16A4146.071
C18B3146.711
C17A3147.591