Acetoveratrone (C10 H12 O3)

bmse010033 Data

Entry STAR file: bmse010033.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: 180.20048

This is of the category: Monomers

Concentration: 110 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Acetoveratrone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.171
C2OMe55.954
C3OMe56.044
C62109.991
C55110.091
C46123.271
C81130.481
C103148.991
C94153.301
C7A196.701
H14B2.561
H15B2.561
H16B2.561
H17OMe3.934
H19OMe3.934
H18OMe3.934
H20OMe3.944
H21OMe3.944
H22OMe3.944
H2527.521
H2456.901
H2367.571

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.251
C2OMe55.964
C3OMe56.104
C62111.171
C55111.301
C46123.731
C81131.241
C103150.001
C94154.381
C7A196.341

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.231
C2OMe55.434
C3OMe55.684
C62110.171
C55110.741
C46123.041
C81129.881
C103148.551
C94153.061
C7A196.221