BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Vanillin ()

bmse010006 Data

Entry STAR file: bmse010006.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:

This is of the category: Monomers

Concentration: 132 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Vanillin image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.071
C42109.021
C35114.591
C26127.571
C61129.701
C83147.341
C74151.991
C5A191.161
H12OMe3.921
H13OMe3.921
H14OMe3.921
H1727.411
H1657.041
H1567.441
H18A9.811

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.241
C42110.821
C35115.871
C26126.981
C61130.621
C83148.861
C74153.451
C5A191.071
H12OMe3.911
H13OMe3.911
H14OMe3.911
H1727.461
H1657.001
H1567.431
H18A9.811
H19OH8.301

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.521
C42110.631
C35115.361
C26126.041
C61128.701
C83148.121
C74153.001
C5A190.891