Lignin_cw_compound_291 (C11 H14 O4)

bmse010198 Data

Entry STAR file: bmse010198.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: 210.22646

This is of the category: Monomers

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_291 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G22.771
C2OMe55.974
C3OMe56.064
C7B68.781
C55110.131
C62110.681
C46123.321
C81126.161
C103149.251
C94153.961
C11A200.731
H16G1.431
H17G1.431
H18G1.431
H19OMe3.924
H21OMe3.924
H20OMe3.924
H22OMe3.934
H23OMe3.934
H24OMe3.934
H28B5.101
H2656.891
H2727.491
H2567.491

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G22.591
C2OMe56.144
C3OMe56.244
C7B69.531
C55111.621
C62111.951
C46124.221
C81127.801
C103150.301
C94155.011
C11A201.301
H16G1.351
H17G1.351
H18G1.351
H19OMe3.874
H21OMe3.874
H20OMe3.874
H22OMe3.904
H23OMe3.904
H24OMe3.904
H28B5.141
H2657.061
H2727.541
H2567.681

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G21.091
C2OMe55.544
C3OMe55.754
C7B68.311
C55110.891
C62110.891
C46123.311
C81127.381
C103148.611
C94153.111
C11A200.091
H16G1.271
H17G1.271
H18G1.271
H19OMe3.814
H21OMe3.814
H20OMe3.814
H22OMe3.844
H23OMe3.844
H24OMe3.844
H28B5.051
H29BOH5.211
H2657.061
H2727.481
H2567.691

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