Acetylated Eugenol (C12 H14 O3)

bmse010055 Data

Entry STAR file: bmse010055.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: 206.23776

This is of the category: Monomers

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

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Acetylated Eugenol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.641
C5A40.081
C3OMe55.811
C82112.761
C1G116.121
C75120.661
C66122.511
C4B137.031
C114138.051
C101138.981
C123150.891
C9AcC=O169.121
H19AcMe2.291
H18AcMe2.291
H20AcMe2.291
H25A3.361
H26A3.361
H21OMe3.801
H22OMe3.801
H23OMe3.801
H16G5.071
H17G5.071
H24B5.951
H27A66.751
H29A26.771
H28A56.941

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.451
C5A40.511
C3OMe56.081
C82113.661
C1G116.031
C75121.101
C66123.371
C4B138.321
C114139.241
C101139.721
C123152.101
C9AcC=O168.951

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.301
C5A39.261
C3OMe55.571
C82112.821
C1G115.871
C75120.151
C66122.481
C4B137.341
C114137.531
C101138.661
C123150.611
C9AcC=O168.471