3,4-dimethoxybenzylacetate (C11 H14 O4)

bmse010075 Data

Entry STAR file: bmse010075.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: 210.22646

This is of the category: Monomers

Concentration: 96 mg/ml (Source: Mike Mozuch)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

3,4-dimethoxybenzylacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.031
C2OMe55.961
C3OMe55.961
C7A66.381
C62111.271
C55112.061
C46121.331
C91128.601
C113149.141
C104149.261
C8AcC=O170.821

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.831
C2OMe56.181
C3OMe56.181
C7A66.531
C62112.761
C55113.501
C46121.901
C91129.991
C113150.381
C104150.451
C8AcC=O170.851
H17AcMe2.011
H18AcMe2.011
H16AcMe2.011
H19OMe3.794
H21OMe3.794
H20OMe3.794
H22OMe3.804
H23OMe3.804
H24OMe3.804
H28A5.001
H29A5.001
H2656.911
H2566.911
H2726.981

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.661
C2OMe55.501
C3OMe55.501
C7A65.471
C62111.701
C55112.341
C46120.881
C91128.451
C113148.661
C104148.751
C8AcC=O170.151