Lignin_cw_compound_290 (C11 H16 O4)

bmse010197 Data

Entry STAR file: bmse010197.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: 212.24234

This is of the category: Monomers

Concentration: Saturated (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_290 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.191
C4B31.871
C2OMe56.231
C3OMe56.231
C8A76.201
C52102.601
C66102.601
C114133.911
C71135.871
C93146.911
C105146.911
H17G0.911
H16G0.911
H18G0.911
H25B1.751
H26B1.751
H19OMe3.881
H21OMe3.881
H20OMe3.881
H22OMe3.881
H24OMe3.881
H23OMe3.881
H29A4.501
H2726.571
H2866.571

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.611
C4B33.241
C2OMe56.591
C3OMe56.591
C8A75.811
C52104.321
C66104.321
C114135.661
C71137.561
C93148.411
C105148.411
H17G0.871
H16G0.871
H18G0.871
H25B1.661
H26B1.661
H19OMe3.791
H21OMe3.791
H20OMe3.791
H22OMe3.791
H24OMe3.791
H23OMe3.791
H29A4.441
H2726.631
H2866.631
H314OH6.991

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G10.321
C4B32.161
C2OMe55.951
C3OMe55.951
C8A73.921
C52103.331
C66103.331
C114134.101
C71136.441
C93147.651
C105147.651
H17G0.791
H16G0.791
H18G0.791
H25B1.561
H26B1.561
H19OMe3.721
H21OMe3.721
H20OMe3.721
H22OMe3.721
H24OMe3.721
H23OMe3.721
H29A4.301
H2726.541
H2866.541
H314OH8.081