BMRB

Biological Magnetic Resonance Data Bank


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

acetovanillone (C9 H10 O3)

bmse010031 Data

Entry STAR file: bmse010031.str

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

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

Natural Isotopic formula weight: 166.1739

This is of the category: Monomers

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

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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acetovanillone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.161
C2OMe56.011
C52109.891
C45113.971
C36124.061
C71130.021
C93146.771
C84150.661
C6A197.141
H13B2.561
H14B2.561
H15B2.561
H16OMe3.911
H17OMe3.911
H18OMe3.911
H2127.531
H2056.951
H1967.531

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.221
C2OMe56.171
C52111.401
C45115.261
C36124.221
C71130.651
C93148.161
C84152.121
C6A196.301

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.141
C2OMe55.521
C52111.041
C45114.851
C36123.341
C71128.841
C93147.451
C84151.651
C6A195.981