Methyl 3,4-dimethoxycinnamate (C12 H14 O4)

bmse010231 Data

Entry STAR file: bmse010231.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: 222.23716

This is of the category: Monomers

Concentration: 104 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Methyl 3,4-dimethoxycinnamate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.201
C23OMe55.521
C14OMe55.591
C82110.491
C65111.511
C5B115.261
C46122.811
C91126.851
C7A144.671
C113149.001
C104151.021
C12G166.921
H25GOMe3.791
H24GOMe3.791
H23GOMe3.791
H17OMe3.901
H19OMe3.901
H18OMe3.901
H21OMe3.901
H22OMe3.901
H20OMe3.901
H3027.041
H2856.861
H2667.091
H27A7.631
H29B6.301

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.501
C23OMe56.071
C14OMe56.121
C82111.231
C65112.381
C5B116.151
C46123.461
C91128.191
C7A145.411
C113150.591
C104152.541
C12G167.711

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.201
C23OMe55.521
C14OMe55.591
C82110.491
C65111.511
C5B115.261
C46122.811
C91126.851
C7A144.671
C113149.001
C104151.021
C12G166.921