Methyl 4-acetoxycinnamate (C12 H12 O4)

bmse010080 Data

Entry STAR file: bmse010080.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: 220.22128

This is of the category: Monomers

Concentration: 100 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Methyl 4-acetoxycinnamate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.021
C2OMe51.661
C8B118.041
C63122.231
C75122.231
C32129.241
C46129.241
C101132.131
C5A143.801
C114152.311
C12G167.311
C9AcC=O169.051

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.931
C2OMe51.701
C8B118.751
C63123.101
C75123.101
C32130.021
C46130.021
C101132.811
C5A144.211
C114153.341
C12G167.361
C9AcC=O169.361
H17AcMe2.274
H18AcMe2.274
H19AcMe2.274
H20OMe3.754
H21OMe3.754
H22OMe3.754
H28B6.514
H2637.184
H2757.184
H25A7.674
H2327.694
H2467.694

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.794
C2OMe51.704
C8B118.754
C63122.301
C75122.301
C32129.501
C46129.501
C101131.701
C5A143.491
C114152.061
C12G166.561
C9AcC=O168.841