BMRB

Biological Magnetic Resonance Data Bank


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

acetylated isoeugenol (C12 H14 O3)

bmse010051 Data

Entry STAR file: bmse010051.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: 206.23776

This is of the category: Monomers

Concentration: 100 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

acetylated isoeugenol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.371
C2AcMe20.621
C3OMe55.771
C82109.691
C66118.361
C75122.651
C4B126.011
C5A130.481
C101137.061
C114138.651
C123151.021
C9AcC=O169.041
H17G1.851
H16G1.851
H18G1.851
H20AcMe2.281
H19AcMe2.281
H21AcMe2.281
H23OMe3.811
H24OMe3.811
H22OMe3.811
H25B6.171
H26A6.351

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.451
C2AcMe20.451
C3OMe56.101
C82110.541
C66118.901
C75123.531
C4B126.341
C5A131.361
C101137.701
C114139.881
C123152.261
C9AcC=O168.951

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.111
C2AcMe20.321
C3OMe55.641
C82109.731
C66117.991
C75122.681
C4B125.801
C5A130.241
C101136.441
C114138.241
C123150.861
C9AcC=O168.461