BMRB

Biological Magnetic Resonance Data Bank


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

3,4-Dimethoxybenzyl alcohol (C9 H12 O3)

bmse010029 Data

Entry STAR file: bmse010029.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: 168.18978

This is of the category: Monomers

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

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

3,4-Dimethoxybenzyl alcohol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.784
C2OMe55.904
C6A65.041
C52110.451
C45111.041
C36119.331
C71133.661
C84148.431
C93149.001
H13OMe3.851
H14OMe3.851
H15OMe3.851
H16OMe3.851
H17OMe3.851
H18OMe3.851
H22A4.561
H23A4.561
H2126.821
H2056.861
H1966.861

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.934
C2OMe56.114
C6A64.581
C52111.691
C45112.541
C36119.621
C71135.951
C84149.321
C93150.191

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.274
C2OMe55.474
C6A62.791
C52110.511
C45111.481
C36118.501
C71135.031
C84147.601
C93148.541