4-acetoxybenzyl Acetate (C11 H12 O4)

bmse010015 Data

Entry STAR file: bmse010015.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: 208.21058

This is of the category: Monomers

Concentration: 104 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

4-acetoxybenzyl Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.954
C2AcMe21.084
C7A65.581
C53121.701
C65121.701
C32129.501
C46129.501
C101133.561
C114150.531
C9A4AcC=O169.311
C8AAcC=O170.721
H17AcMe2.084
H16AcMe2.084
H18AcMe2.084
H19AcMe2.294
H20AcMe2.294
H21AcMe2.294
H26A5.081
H27A5.081
H2437.081
H2557.081
H2227.371
H2367.371

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.764
C2AcMe20.924
C7A65.801
C53122.591
C65122.591
C32130.021
C46130.021
C101134.841
C114151.601
C9A4AcC=O169.531
C8AAcC=O170.771

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.624
C2AcMe20.754
C7A64.831
C53121.781
C65121.781
C32129.251
C46129.251
C101133.671
C114150.151
C9A4AcC=O169.081
C8AAcC=O170.141