Acetosyringone (C10 H12 O4)

bmse010032 Data

Entry STAR file: bmse010032.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: 196.19988

This is of the category: Monomers

Concentration: 92 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Acetosyringone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.211
C2OMe56.451
C3OMe56.451
C42105.811
C56105.811
C71128.211
C104139.891
C83146.791
C95146.791
C6A196.641
H17B2.571
H16B2.571
H15B2.571
H20OMe3.941
H19OMe3.941
H18OMe3.941
H21OMe3.941
H23OMe3.941
H22OMe3.941
H2427.241
H2567.241

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.301
C2OMe56.631
C3OMe56.631
C42106.971
C56106.971
C71129.131
C104141.751
C83148.291
C95148.291
C6A196.311

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.221
C2OMe56.021
C3OMe56.021
C42106.131
C56106.131
C71127.331
C104140.861
C83147.441
C95147.441
C6A196.061