Lignin_cw_compound_125 (C14 H14 O3)

bmse010062 Data

Entry STAR file: bmse010062.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: 230.25916

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_125 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C14A72.311
C10B73.251
C4B3114.731
C5B5114.731
C8A3115.511
C9A5115.511
C1B1121.331
C6A2127.801
C7A6127.801
C2B2129.551
C3B6129.551
C11A1131.681
C12A4155.771
C13B4158.411
H29A5.051
H27B4.051
H28B4.051

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C14A72.421
C10B74.321
C4B3115.431
C5B5115.431
C8A3115.761
C9A5115.761
C1B1121.371
C6A2128.391
C7A6128.391
C2B2130.121
C3B6130.121
C11A1133.531
C12A4157.611
C13B4159.841

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C14A70.551
C10B73.071
C4B3114.491
C5B5114.491
C8A3114.741
C9A5114.741
C1B1120.381
C6A2127.421
C7A6127.421
C2B2129.321
C3B6129.321
C11A1132.631
C12A4156.541
C13B4158.521