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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methyl (3,4,5-trimethoxy)cinnamate (C13 H16 O5)

bmse010223 Data

Entry STAR file: bmse010223.str

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

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

Natural Isotopic formula weight: 252.26314

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

methyl (3,4,5-trimethoxy)cinnamate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.611
C13OMe56.151
C25OMe56.151
C44OMe60.891
C72105.361
C86105.361
C6B117.041
C91129.901
C134140.241
C5A144.811
C103153.461
C115153.461
C12G167.291
H25GOMe3.741
H26GOMe3.741
H27GOMe3.741
H193OMe3.821
H203OMe3.821
H213OMe3.821
H225OMe3.821
H235OMe3.821
H245OMe3.821
H284OMe3.821
H294OMe3.821
H304OMe3.821
H3326.701
H3466.701
H31A7.541
H32B6.291

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.571
C13OMe56.451
C25OMe56.451
C44OMe60.581
C72106.581
C86106.581
C6B117.701
C91130.701
C134141.271
C5A145.451
C103154.511
C115154.511
C12G167.511

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.311
C13OMe56.021
C25OMe56.021
C44OMe60.061
C72105.991
C86105.991
C6B117.061
C91129.611
C134139.611
C5A144.751
C103153.111
C115153.111
C12G166.781