Lignin_cw_compound_196 (C14 H16 O6)

bmse010123 Data

Entry STAR file: bmse010123.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: 280.27324

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_196 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.361
C4GOMe51.681
C2OMe56.121
C3OMe56.121
C72104.651
C86104.651
C6B118.051
C144130.401
C101132.641
C5A144.511
C113152.381
C125152.381
C13G167.111
C9AcC=O168.391

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.231
C4GOMe51.701
C2OMe56.611
C3OMe56.611
C72105.831
C86105.831
C6B118.971
C144131.451
C101133.561
C5A145.151
C113153.531
C125153.531
C13G167.441
C9AcC=O168.381
H22AcMe2.251
H21AcMe2.251
H23AcMe2.251
H30GOMe3.751
H32GOMe3.751
H31GOMe3.751
H26OMe3.871
H25OMe3.871
H24OMe3.871
H27OMe3.871
H29OMe3.871
H28OMe3.871
H3527.081
H3667.081
H33B6.581
H34A7.621

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.001
C4GOMe51.341
C2OMe56.081
C3OMe56.081
C72105.241
C86105.241
C6B118.181
C144129.601
C101132.301
C5A144.261
C113151.901
C125151.901
C13G166.571
C9AcC=O167.831