4-acetoxy Cinnamaldehyde (C11 H10 O3)

bmse010150 Data

Entry STAR file: bmse010150.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: 190.1953

This is of the category: Monomers

Concentration: 54 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

4-acetoxy Cinnamaldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.111
C63122.431
C75122.431
C2B128.731
C42129.701
C56129.701
C101131.751
C3A151.441
C114152.901
C9AcC=O168.971
C8G193.441

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.981
C63123.401
C75123.401
C2B129.601
C42130.601
C56130.601
C101132.911
C3A152.211
C114154.011
C9AcC=O169.401
C8G193.951
H15AcMe2.271
H16AcMe2.271
H17AcMe2.271
H18B6.731
H2237.221
H2357.221
H19A7.661
H2027.761
H2167.761
H24G9.701

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.651
C63122.331
C75122.331
C2B128.411
C42129.811
C56129.811
C101131.591
C3A151.731
C114152.411
C9AcC=O168.701
C8G193.971