4-Acetoxy Benzaldehyde (C9 H8 O3)

bmse010134 Data

Entry STAR file: bmse010134.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: 164.15802

This is of the category: Monomers

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

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

4-Acetoxy Benzaldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.061
C23122.321
C35122.321
C42131.121
C56131.121
C91133.931
C84155.301
C7AcC=O168.621
C6A190.881

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.981
C23123.431
C35123.431
C42131.681
C56131.681
C91135.131
C84156.421
C7AcC=O169.271
C6A191.831
H13AcMe2.301
H14AcMe2.301
H15AcMe2.301
H1637.351
H1757.351
H1827.971
H1967.971
H20A10.011

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.781
C23122.631
C35122.631
C42130.851
C56130.951
C91133.751
C84154.991
C7AcC=O168.641
C6A191.841