Acetylated Coniferyl Alcohol (C14 H16 O5)

bmse010074 Data

Entry STAR file: bmse010074.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: 264.27384

This is of the category: Monomers

Concentration: 94 mg/ml (Source: Mike Mozuch)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Acetylated Coniferyl Alcohol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.594
C2AcMe20.924
C3OMe55.881
C8G64.841
C92110.341
C66119.371
C75122.881
C4B123.611
C5A133.521
C121135.301
C134139.761
C143151.211
C11A4AcC=O168.831
C10GAcC=O170.681

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.454
C2AcMe20.764
C3OMe56.241
C8G65.131
C92111.231
C66119.921
C75123.741
C4B124.901
C5A133.621
C121136.261
C134140.821
C143152.431
C11A4AcC=O168.891
C10GAcC=O170.691
H22AcMe2.044
H21AcMe2.044
H20AcMe2.044
H24AcMe2.234
H23AcMe2.234
H25AcMe2.234
H27OMe3.81
H28OMe3.81
H26OMe3.81
H33G4.691
H34G4.691
H29B6.361
H30A6.681
H3257.011
H3167.011
H3527.211

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.274
C2AcMe20.604
C3OMe55.751
C8G64.121
C92110.411
C66118.991
C75122.831
C4B124.161
C5A132.291
C121134.971
C134139.081
C143150.941
C11A4AcC=O168.371
C10GAcC=O170.021