Lignin_cw_compound_130 (C13 H16 O6)

bmse010067 Data

Entry STAR file: bmse010067.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: 268.26254

This is of the category: Monomers

Concentration: Saturated (Source: Irwin A. Pearl)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_130 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.441
C2AcMe20.781
C3OMe56.571
C4OMe56.571
C7B70.941
C52106.121
C66106.121
C91125.831
C134140.421
C103147.021
C115147.021
C8AcC=O170.451
C12A195.111
H20G1.531
H22G1.531
H21G1.531
H25AcMe2.151
H23AcMe2.151
H24AcMe2.151
H28OMe3.941
H27OMe3.941
H26OMe3.941
H29OMe3.941
H31OMe3.941
H30OMe3.941
H34B5.961
H3227.241
H3367.241

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.771
C2AcMe20.631
C3OMe56.851
C4OMe56.851
C7B71.981
C52107.381
C66107.381
C91126.171
C134142.411
C103148.591
C115148.591
C8AcC=O170.421
C12A195.301

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.431
C2AcMe20.401
C3OMe56.221
C4OMe56.221
C7B71.151
C52106.431
C66106.431
C91124.021
C134141.671
C103147.751
C115147.751
C8AcC=O169.701
C12A194.631