2,6-dimethoxyphenol Acetate (C10 H12 O4)

bmse010116 Data

Entry STAR file: bmse010116.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: 196.19988

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

2,6-dimethoxyphenol Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.451
C2OMe56.121
C3OMe56.121
C52104.911
C66104.911
C41126.231
C104128.851
C83152.341
C95152.341
C7AcC=O168.711

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.271
C2OMe56.401
C3OMe56.401
C52105.771
C66105.771
C41126.921
C104129.941
C83153.431
C95153.431
C7AcC=O168.561
H16AcMe2.221
H17AcMe2.221
H15AcMe2.221
H18OMe3.371
H20OMe3.371
H19OMe3.371
H21OMe3.371
H23OMe3.371
H22OMe3.371
H2526.691
H2666.691
H2417.131

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.121
C2OMe55.891
C3OMe55.891
C52105.001
C66105.001
C41126.231
C104128.111
C83151.901
C95151.901
C7AcC=O168.041