Vanillin Acetate (C10 H10 O4)

bmse010102 Data

Entry STAR file: bmse010102.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: 194.184

This is of the category: Monomers

Concentration: 100 mg/ml (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Vanillin Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.581
C2OMe56.061
C52110.921
C36123.401
C45124.591
C81135.231
C94144.931
C103151.961
C7AcC=O168.261
C6A190.971

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.451
C2OMe56.461
C52112.311
C36124.391
C45124.441
C81136.431
C94145.831
C103153.031
C7AcC=O168.571
C6A191.761
H16AcMe2.271
H15AcMe2.271
H17AcMe2.271
H19OMe3.911
H20OMe3.911
H18OMe3.911
H2327.571
H2257.291
H2167.551
H24A9.971

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.291
C2OMe55.961
C52111.841
C36123.461
C45123.631
C81135.001
C94144.191
C103151.501
C7AcC=O168.011
C6A191.871