BMRB

Biological Magnetic Resonance Data Bank


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

3,4-dimethoxycinnamyl alcohol (C11 H14 O3)

bmse010077 Data

Entry STAR file: bmse010077.str

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

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

Natural Isotopic formula weight: 194.22706

This is of the category: Monomers

Concentration: 50 mg/ml (Source: Mike Mozuch)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

3,4-dimethoxycinnamyl alcohol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.874
C2OMe55.954
C7G63.761
C82109.141
C65111.341
C56119.691
C3B126.651
C4A131.091
C91129.871
C113149.011
C104149.141

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.124
C2OMe56.184
C7G63.341
C82110.591
C65112.921
C56120.241
C3B128.901
C4A130.141
C91131.401
C113150.101
C104150.551
H15OMe3.794
H16OMe3.794
H17OMe3.794
H18OMe3.824
H19OMe3.824
H20OMe3.824
H25G4.201
H26G4.201
H21B6.261
H22A6.491
H2456.881
H2366.891
H2727.061

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.504
C2OMe55.554
C7G61.631
C82109.331
C65111.911
C56119.161
C3B128.531
C4A128.601
C91129.941
C113148.361
C104148.911