Lignin_cw_compound_205 (C10 H12 O3)

bmse010132 Data

Entry STAR file: bmse010132.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: 180.20048

This is of the category: Monomers

Concentration: Saturated (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_205 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.011
C2OMe55.231
C7A66.071
C53113.941
C65113.941
C91128.101
C32130.081
C46130.081
C104159.651
C8AcC=O170.851

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.851
C2OMe55.531
C7A66.251
C53114.601
C65114.601
C91129.431
C32130.781
C46130.781
C104160.571
C8AcC=O170.851
H15AcMe2.001
H14AcMe2.001
H16AcMe2.001
H17OMe3.781
H19OMe3.781
H18OMe3.781
H24A5.011
H25A5.011
H2236.911
H2356.911
H2027.311
H2167.311

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.611
C2OMe54.981
C7A65.181
C53113.701
C65113.701
C91128.031
C32129.851
C46129.851
C104159.071
C8AcC=O170.131