BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Acetylated ferulic acid (C12 H12 O5)

bmse010048 Data

Entry STAR file: bmse010048.str

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

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

Natural Isotopic formula weight: 236.22068

This is of the category: Monomers

Concentration: 100 mg/ml (Source: Richard F. Helm)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Acetylated ferulic acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
H18AcMe2.331
H19AcMe2.331
H20AcMe2.331
H21OMe3.881
H22OMe3.881
H23OMe3.881
H25A7.041
H27B6.411

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.481
C2OMe56.421
C72112.481
C4B119.481
C36122.031
C55124.111
C91134.381
C104142.621
C6A144.791
C113152.711
C12AcC=O167.701
C12G168.781

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.291
C2OMe55.901
C72111.791
C4B119.471
C36121.201
C55123.101
C91133.191
C104140.771
C6A143.231
C113151.091
C12AcC=O167.501
C12G168.291