BMRB

Biological Magnetic Resonance Data Bank


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

4-methoxy benzaldehyde (C8 H8 O2)

bmse010130 Data

Entry STAR file: bmse010130.str

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

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

Natural Isotopic formula weight: 136.14792

This is of the category: Monomers

Concentration: 120 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

4-methoxy benzaldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.511
C43114.261
C55114.261
C71129.901
C22131.881
C36131.881
C84164.551
C6A190.681

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.031
C43115.161
C55115.161
C71131.111
C22132.431
C36132.431
C84165.441
C6A191.091
H11OMe3.891
H12OMe3.891
H13OMe3.891
H1637.081
H1757.081
H1427.851
H1567.851
H18A9.861

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.511
C43114.351
C55114.351
C71129.571
C22131.651
C36131.651
C84164.101
C6A191.011