BMRB

Biological Magnetic Resonance Data Bank


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

Phenol (C6 H6 O)

bmse010026 Data

Entry STAR file: bmse010026.str

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

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

Natural Isotopic formula weight: 94.11124

This is of the category: Monomers

Concentration: 108 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Phenol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C43115.411
C55115.411
C11120.891
C22129.711
C36129.711
C64155.251
H1136.841
H1256.841
H816.931
H927.221
H1067.221

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C43116.031
C55116.031
C11120.131
C22130.161
C36130.161
C64158.161

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C43115.181
C55115.181
C11118.701
C22129.261
C36129.261
C64157.291