Methyl 4-acetoxybenzoate (C10 H10 O4)

bmse010008 Data

Entry STAR file: bmse010008.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: 194.184

This is of the category: Monomers

Concentration: 106 mg/ml (Source: Larry L. Landucci)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Methyl 4-acetoxybenzoate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.121
C2OMe52.161
C53121.601
C65121.601
C81127.701
C32131.141
C46131.141
C94154.301
C10A166.251
C7AcC=0168.791
H15AcMe2.301
H16AcMe2.301
H17AcMe2.301
H19OMe3.901
H20OMe3.901
H18OMe3.901
H2337.161
H2457.161
H2128.061
H2268.061

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.971
C2OMe52.371
C53122.821
C65122.821
C81128.461
C32131.601
C46131.601
C94155.561
C10A166.471
C7AcC=0169.231

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.821
C2OMe52.131
C53122.211
C65122.211
C81127.081
C32130.701
C46130.701
C94154.201
C10A165.491
C7AcC=0168.721