Sinapyl Alcohol Diacetate (C15 H18 O6)

bmse010138 Data

Entry STAR file: bmse010138.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: 294.29982

This is of the category: Monomers

Concentration: 40 mg/ml (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Sinapyl Alcohol Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.514
C2AcMe21.054
C3OMe56.211
C4OMe56.211
C7G64.901
C82103.381
C96103.381
C5B123.711
C154128.751
C6A134.011
C121134.711
C133152.281
C145152.281
C114AcC=O168.711
C10GAcC=O170.851

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.264
C2AcMe20.794
C3OMe56.471
C4OMe56.471
C7G65.131
C82104.181
C96104.181
C5B124.991
C154129.681
C6A134.041
C121135.671
C133153.361
C145153.361
C114AcC=O168.511
C10GAcC=O170.721
H23AcMe2.044
H22AcMe2.044
H24AcMe2.044
H26AcMe2.224
H25AcMe2.224
H27AcMe2.224
H30OMe3.821
H29OMe3.821
H28OMe3.821
H31OMe3.821
H33OMe3.821
H32OMe3.821
H37G4.691
H3826.841
H3966.841
H34B6.381
H35A6.661

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.054
C2AcMe20.624
C3OMe55.901
C4OMe55.901
C7G64.061
C82103.221
C96103.221
C5B124.321
C154127.691
C6A132.551
C121134.331
C133151.731
C145151.731
C114AcC=O167.951
C10GAcC=O170.011