Acetylated Dihydrocoumaric Acid (C11 H12 O4)

bmse010065 Data

Entry STAR file: bmse010065.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: 208.21058

This is of the category: Monomers

Concentration: 120 mg/ml (Source: Irwin A. Pearl)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Acetylated Dihydrocoumaric Acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.061
C4A29.961
C7B35.481
C53121.561
C65121.561
C22129.241
C36129.241
C91137.781
C104149.171
C8AcC=O169.781
C11G178.631
H16AcMe2.271
H17AcMe2.271
H18AcMe2.271
H25B2.671
H26B2.671
H21A2.921
H21A2.921
H1926.991
H2066.991
H2337.191
H2457.191

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.911
C4A30.801
C7B35.801
C53122.371
C65122.371
C22129.941
C36129.941
C91139.241
C104150.241
C8AcC=O169.651
C11G174.181

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.731
C4A29.681
C7B35.141
C53121.471
C65121.471
C22129.091
C36129.091
C91138.291
C104148.701
C8AcC=O169.141
C11G173.601