Acetylated Methyl Ferulate (C13 H14 O5)

bmse010081 Data

Entry STAR file: bmse010081.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: 250.24726

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Acetylated Methyl Ferulate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.541
C3GOMe51.621
C2OMe55.941
C82111.521
C7B118.131
C46120.201
C65123.301
C101133.411
C114141.661
C5A144.121
C123151.571
C13G167.151
C9AcC=O168.591

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.461
C3GOMe51.691
C2OMe56.441
C82112.591
C7B118.951
C46122.041
C65124.121
C101134.251
C114142.731
C5A144.681
C123152.721
C13G167.411
C9AcC=O168.761
H20AcMe2.251
H19AcMe2.251
H21AcMe2.251
H26GOMe3.741
H27GOMe3.741
H25GOMe3.741
H23OMe3.861
H24OMe3.861
H22OMe3.861
H31B6.541
H3057.091
H2867.231
H3227.411
H29A7.641

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.281
C3GOMe51.341
C2OMe55.951
C82112.011
C7B118.051
C46121.371
C65123.111
C101132.921
C114140.981
C5A143.811
C123151.101
C13G166.521
C9AcC=O168.191