BMRB

Biological Magnetic Resonance Data Bank


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

Guaiacol (C7 H8 O2)

bmse010027 Data

Entry STAR file: bmse010027.str

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

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

Natural Isotopic formula weight: 124.13722

This is of the category: Monomers

Concentration: 108 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Guaiacol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.861
C52110.811
C45114.601
C31120.151
C26121.471
C73145.701
C64146.631
H10OMe3.831
H11OMe3.831
H12OMe3.831
H17OH5.721

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.161
C52112.481
C45115.841
C31120.391
C26121.941
C73147.481
C64148.331

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.471
C52112.301
C45115.511
C31119.091
C26120.831
C73146.521
C64147.591