Lignin_cw_compound_195 (C14 H18 O6)

bmse010122 Data

Entry STAR file: bmse010122.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: 282.28912

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_195 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.474
C3AcMe21.364
C1B22.241
C4OMe56.171
C5OMe56.171
C8A72.281
C62102.941
C76102.941
C144128.241
C111140.031
C123152.121
C135152.121
C10AcC=O168.691
C9AAcC=O170.151

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.244
C3AcMe21.124
C1B22.621
C4OMe56.441
C5OMe56.441
C8A72.641
C62103.511
C76103.511
C144129.111
C111141.501
C123153.161
C135153.161
C10AcC=O168.521
C9AAcC=O170.161
H24AcMe2.044
H25AcMe2.044
H26AcMe2.044
H27AcMe2.224
H28AcMe2.224
H29AcMe2.224
H21B1.491
H22B1.491
H23B1.491
H30OMe3.801
H31OMe3.801
H32OMe3.801
H33OMe3.801
H34OMe3.801
H35OMe3.801
H38A5.801
H3626.741
H3766.741

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
CXAcMe20.034
CXAcMe20.904
CXB22.021
CXOMe56.891
CXOMe56.891
CXA71.581
CX2102.541
CX6102.541
CX4127.251
CX1140.231
CX3151.571
CX5151.571
CXAcC=O168.001
CXAAcC=O169.541