1-(3,5-dimethoxy-4-acetoxyphenyl)-2-propene (C13 H16 O4)

bmse010056 Data

Entry STAR file: bmse010056.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: 236.26374

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

1-(3,5-dimethoxy-4-acetoxyphenyl)-2-propene image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.431
C6A40.641
C3OMe56.071
C4OMe56.071
C72105.161
C86105.161
C1G116.221
C134126.991
C5B136.901
C101138.521
C113151.971
C125151.971
C9AcC=O168.811
H21AcMe2.311
H20AcMe2.311
H22AcMe2.311
H30A3.341
H31A3.341
H25OMe3.791
H24OMe3.791
H23OMe3.791
H27OMe3.791
H26OMe3.791
H28OMe3.791
H3226.431
H3366.431
H18G5.091
H19G5.091
H29B5.951

Solvent: Acetone-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.241
C6A41.061
C3OMe56.321
C4OMe56.321
C72105.931
C86105.931
C1G116.111
C134128.101
C5B138.241
C101139.321
C113153.061
C125153.061
C9AcC=O168.561

Solvent: DMSO-d6
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.091
C6A39.891
C3OMe55.801
C4OMe55.801
C72105.011
C86105.011
C1G115.971
C134126.331
C5B137.271
C101138.311
C113151.581
C125151.581
C9AcC=O168.061