Lignin_cw_compound_210 (C11 H14 O3)

bmse010137 Data

Entry STAR file: bmse010137.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: 194.22706

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_210 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe21.441
C1B22.011
C3OMe55.321
C8A72.061
C63113.901
C75113.901
C42127.641
C56127.641
C101133.821
C114159.341
C9AcC=O170.381

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe21.161
C1B22.351
C3OMe55.511
C8A72.281
C63114.521
C75114.521
C42128.261
C56128.261
C101134.941
C114160.221
C9AcC=O170.201
H15B1.461
H16B1.461
H17B1.461
H19AcMe1.981
H18AcMe1.981
H20AcMe1.981
H23OMe3.781
H22OMe3.781
H21OMe3.781
H28A5.791
H2636.901
H2756.901
H2427.301
H2567.301

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.921
C1B21.761
C3OMe54.981
C8A71.181
C63113.631
C75113.631
C42127.281
C56127.281
C101133.521
C114158.691
C9AcC=O169.491