Hydroxyphenylethanol Diacetate (C12 H14 O4)

bmse010014 Data

Entry STAR file: bmse010014.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: 222.23716

This is of the category: Monomers

Concentration: 44 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Hydroxyphenylethanol Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe21.104
C3AcMe21.304
C1B22.141
C8A71.681
C63121.571
C75121.571
C42127.311
C56127.311
C111139.181
C124150.161
C10A4AcC=O169.411
C9AAcC=O170.211

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.914
C3AcMe21.084
C1B22.481
C8A72.031
C63122.531
C75122.531
C42127.841
C56127.841
C111140.391
C124151.291
C10A4AcC=O169.581
C9AAcC=O170.161
H21AcMe2.014
H20AcMe2.014
H22AcMe2.014
H23AcMe2.244
H24AcMe2.244
H25AcMe2.244
H17B1.481
H18B1.481
H19B1.481
H30A5.841
H2837.091
H2957.091
H2627.401
H2767.401

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C2AcMe20.744
C3AcMe20.894
C1B21.951
C8A71.011
C63121.701
C75121.701
C42126.991
C56126.991
C111139.131
C124149.791
C10A4AcC=O169.111
C9AAcC=O169.541