BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3,4,5-trimethoxy cinnamic acid (C12 H14 O5)

bmse010224 Data

Entry STAR file: bmse010224.str

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

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

Natural Isotopic formula weight: 238.23656

This is of the category: Monomers

Concentration: 200 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

3,4,5-trimethoxy cinnamic acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe56.191
C25OMe56.191
C34OMe60.961
C62105.671
C76105.671
C5b116.551
C81129.521
C124140.621
C4A147.021
C93153.481
C105153.481
C11G172.461
H183OMe3.891
H193OMe3.891
H203OMe3.891
H215OMe3.891
H225OMe3.891
H235OMe3.891
H244OMe3.891
H254OMe3.891
H264OMe3.891
H2926.781
H3066.781
H27A7.701
H28B6.361

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe56.491
C25OMe56.491
C34OMe60.601
C62106.621
C76106.621
C5b118.151
C81130.831
C124141.241
C4A145.871
C93154.541
C105154.541
C11G168.331

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe55.981
C25OMe55.981
C34OMe60.051
C62105.771
C76105.771
C5b118.511
C81129.871
C124139.381
C4A144.141
C93153.101
C105153.101
C11G167.721