Syringaldehyde Acetate (C11 H12 O5)

bmse010133 Data

Entry STAR file: bmse010133.str

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Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 224.20998

This is of the category: Monomers

Concentration: 84 mg/ml (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Syringaldehyde Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.411
C2OMe56.351
C3OMe56.351
C42106.091
C56106.091
C114133.821
C81134.361
C93152.881
C105152.881
C7AcC=O168.011
C6A191.001

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.211
C2OMe56.721
C3OMe56.721
C42106.721
C56106.721
C114134.601
C81135.621
C93153.911
C105153.911
C7AcC=O168.151
C6A191.821
H18AcMe2.281
H17AcMe2.281
H19AcMe2.281
H22OMe3.901
H21OMe3.901
H20OMe3.901
H24OMe3.901
H23OMe3.901
H25OMe3.901
H2627.281
H2767.281
H28A9.931

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.011
C2OMe56.201
C3OMe56.201
C42106.001
C56106.001
C114132.831
C81134.201
C93152.351
C105152.351
C7AcC=O167.581
C6A191.891