Coumaryl Alcohol Acetate (C13 H14 O4)

bmse010149 Data

Entry STAR file: bmse010149.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: 234.24786

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Coumaryl Alcohol Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.981
C24AcMe21.121
C9G64.951
C73121.791
C85121.791
C3B123.581
C52127.621
C66127.621
C4A133.191
C121134.081
C134150.521
C114AcC=O169.321
C10GAcC=O170.781

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.781
C24AcMe20.961
C9G65.171
C73122.851
C85122.851
C3B124.891
C52128.291
C66128.291
C4A133.281
C121134.991
C134151.701
C114AcC=O169.551
C10GAcC=O170.741
H18GAcMe2.031
H19GAcMe2.031
H20GAcMe2.031
H214AcMe2.241
H224AcMe2.241
H234AcMe2.241
H30G4.691
H31G4.691
H24B6.321
H25A6.691
H2837.081
H2957.081
H2627.471
H2767.471

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1GAcMe20.631
C24AcMe20.861
C9G64.181
C73121.971
C85121.971
C3B123.971
C52127.431
C66127.431
C4A132.051
C121133.641
C134150.131
C114AcC=O169.031
C10GAcC=O170.071