Lignin_cw_compound_191 (C12 H14 O6)

bmse010118 Data

Entry STAR file: bmse010118.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: 254.23596

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_191 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.401
C4AOMe52.341
C2OMe56.321
C3OMe56.321
C52106.341
C66106.341
C81128.101
C114132.631
C93152.101
C105152.101
C12A166.371
C7AcC=O168.141

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.221
C4AOMe52.571
C2OMe56.681
C3OMe56.681
C52106.871
C66106.871
C81129.041
C114133.691
C93153.271
C105153.271
C12A166.611
C7AcC=O168.171
H20AcMe2.261
H19AcMe2.261
H21AcMe2.261
H28AOMe3.881
H29AOMe3.881
H30AOMe3.881
H24OMe3.871
H23OMe3.871
H22OMe3.871
H25OMe3.871
H27OMe3.871
H26OMe3.871
H3127.331
H3267.331

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.061
C4AOMe52.361
C2OMe56.171
C3OMe56.171
C52105.791
C66105.791
C81127.701
C114131.961
C93151.811
C105151.811
C12A165.751
C7AcC=O167.671