BMRB

Biological Magnetic Resonance Data Bank


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

coniferaldehyde (C10 H10 O3)

bmse010076 Data

Entry STAR file: bmse010076.str

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 178.1846

This is of the category: Monomers

Concentration: 80 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

coniferaldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.051
C72109.751
C55115.061
C46124.031
C2B126.351
C81126.661
C94147.111
C103149.121
C13A153.161
C16G193.621

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.411
C72111.661
C55116.211
C46124.681
C2B127.031
C81127.461
C94148.831
C103150.781
C13A153.891
C16G193.781
H14OMe3.931
H15OMe3.931
H16OMe3.931
H17B6.671
H2056.921
H1967.211
H2227.381
H18A7.571
H21G9.641

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.741
C72111.591
C55115.681
C46123.861
C2B125.691
C81125.691
C94148.021
C103150.151
C13A153.831
C16G193.841