BMRB

Biological Magnetic Resonance Data Bank


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

p-Anisic_acid (C8 H8 O3)

bmse010012 Data

Entry STAR file: bmse010012.str

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

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

Natural Isotopic formula weight: 152.14732

This is of the category: Monomers

Concentration: 104 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

p-Anisic_acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.481
C43113.751
C55113.751
C61121.671
C22132.351
C36132.351
C74164.041
C8A171.451
H12OMe3.891
H13OMe3.891
H14OMe3.891
H1736.961
H1856.961
H1528.071
H1668.071

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.861
C43114.501
C55114.501
C61123.671
C22132.481
C36132.481
C74164.391
C8A167.541

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.361
C43113.741
C55113.741
C61122.971
C22131.321
C36131.321
C74162.801
C8A167.001