Veratric Acid (C9 H10 O4)

bmse010207 Data

Entry STAR file: bmse010207.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: 182.1733

This is of the category: Monomers

Concentration: 110 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Veratric Acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.024
C2OMe56.064
C52110.361
C45112.381
C61121.771
C36124.611
C83148.721
C74153.781
C9A172.081
H14OMe3.944
H16OMe3.944
H15OMe3.944
H17OMe3.954
H18OMe3.954
H19OMe3.954
H2227.601
H2156.921
H2067.781

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.084
C2OMe56.124
C52111.641
C45113.341
C61123.641
C36124.421
C83149.891
C74154.371
C9A167.531

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.414
C2OMe55.584
C52110.931
C45111.931
C61122.981
C36123.161
C83148.301
C74152.601
C9A167.081