Methyl Ferulate (C11 H12 O4)

bmse010229 Data

Entry STAR file: bmse010229.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: 208.21058

This is of the category: Monomers

Concentration: 108 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Methyl Ferulate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GOMe51.601
C13OMe55.931
C72109.561
C6B114.861
C55115.091
C36123.001
C81126.921
C4A145.031
C103146.891
C94148.111
C11G167.801
H21GOMe3.791
H20GOMe3.791
H19GOMe3.791
H173OMe3.891
H183OMe3.891
H163OMe3.891
H2627.311
H23A7.611
H2456.901
H2267.051
H25B6.281

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GOMe51.471
C13OMe56.321
C72111.341
C6B115.511
C55116.031
C36123.781
C81127.381
C4A145.651
C103148.661
C94149.991
C11G167.821

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2GOMe51.121
C13OMe55.681
C72111.321
C6B114.191
C55115.541
C36122.991
C81125.561
C4A145.021
C103147.921
C94149.381
C11G167.021