BMRB

Biological Magnetic Resonance Data Bank


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

Ethyl Vanillin ()

bmse010097 Data

Entry STAR file: bmse010097.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: 80 mg/ml (Source: Mike Mozuch)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Ethyl Vanillin image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1Me14.381
C2OMe55.771
C3CH264.391
C62108.971
C55111.071
C46126.531
C81129.691
C103149.511
C94153.711
C7A190.601

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1Me14.921
C2OMe56.001
C3CH265.021
C62110.361
C55112.521
C46126.651
C81130.981
C103150.721
C94154.881
C7A191.061
H14Me1.421
H15Me1.421
H16Me1.421
H17OMe3.891
H18OMe3.891
H19OMe3.891
H20CH24.151
H21CH24.151
H2357.081
H2427.411
H2267.491
H25A9.851