Methyl Sinapate (C12 H14 O5)

bmse010221 Data

Entry STAR file: bmse010221.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: 238.23656

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 Sinapate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.601
C13OMe56.341
C25OMe56.341
C62105.171
C76105.171
C5B115.501
C81125.851
C124137.301
C4A145.151
C93147.291
C105147.291
C11G167.581
H24GOMe3.791
H26GOMe3.791
H25GOMe3.791
H203OMe3.901
H193OMe3.901
H183OMe3.901
H215OMe3.901
H235OMe3.901
H225OMe3.901
H2926.761
H3066.761
H27A7.601
H28B6.301

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.461
C13OMe56.681
C25OMe56.681
C62106.831
C76106.831
C5B115.731
C81126.081
C124139.461
C4A145.991
C93148.881
C105148.881
C11G167.781

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C3GOMe51.131
C13OMe56.061
C25OMe56.061
C62106.261
C76106.261
C5B114.581
C81124.341
C124138.361
C4A145.321
C93148.001
C105148.001
C11G166.981