Vanillic Acid Methyl Ester (C9 H10 O4)

bmse010226 Data

Entry STAR file: bmse010226.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: 202 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Vanillic Acid Methyl Ester image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AOMe52.021
C14OMe56.071
C52111.981
C45114.331
C61122.131
C36124.231
C83146.411
C74150.291
C9A167.121
H19AOMe3.881
H17AOMe3.881
H18AOMe3.881
H204OMe3.881
H214OMe3.881
H224OMe3.881
H2227.531
H2156.931
H2067.621

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AOMe52.001
C14OMe56.291
C52113.201
C45115.581
C61122.431
C36124.531
C83148.081
C74152.141
C9A167.151

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AOMe51.641
C14OMe55.601
C52112.541
C45115.191
C61120.521
C36123.441
C83147.361
C74151.531
C9A166.061