Lignin_cw_compound_126 (C16 H18 O5)

bmse010063 Data

Entry STAR file: bmse010063.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: 290.31112

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

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_126 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.904
C2OMe55.974
C13A72.201
C10B76.501
C9A2108.871
C5B2112.161
C8A5114.261
C6B5116.211
C7A6119.371
C4B6121.131
C3B1122.581
C11A1131.611
C12A4145.461
C16A3146.681
C14B3148.101
C15B4150.261
H23OMe3.884
H22OMe3.884
H24OMe3.884
H27OMe3.894
H26OMe3.894
H25OMe3.894
H37A5.021
H35B13.931
H36B24.151

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.284
C2OMe56.354
C13A72.711
C10B76.321
C9A2111.011
C5B2113.671
C8A5115.371
C6B5115.931
C7A6119.891
C4B6121.831
C3B1122.451
C11A1134.171
C12A4146.841
C16A3148.121
C14B3149.741
C15B4151.061

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.521
C2OMe55.521
C13A70.811
C10B74.151
C9A2110.751
C5B2112.511
C8A5113.751
C6B5114.921
C7A6118.671
C4B6120.741
C3B1120.921
C11A1133.461
C12A4145.661
C16A3147.211
C14B3148.231
C15B4149.101