4-acetoxy-acetophenone (C10 H10 O3)

bmse010101 Data

Entry STAR file: bmse010101.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: 178.1846

This is of the category: Monomers

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

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

4-acetoxy-acetophenone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe21.111
C1B26.551
C53121.751
C65121.751
C32129.911
C46129.911
C91134.721
C104154.351
C8AcC=O168.781
C7A196.751

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.981
C1B20.641
C53122.751
C65122.751
C32130.531
C46130.531
C91135.651
C104155.431
C8AcC=O169.271
C7A196.801
C17AcMe2.281
C18AcMe2.281
C19AcMe2.281
C14B2.571
C15B2.571
C16B2.571
C537.241
C637.241
C328.021
C428.021

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.511
C1B26.621
C53122.021
C65122.021
C32129.781
C46129.781
C91134.391
C104154.081
C8AcC=O168.731
C7A196.751