Vanillyl Alcohol Diacetate (C12 H14 O5)

bmse010127 Data

Entry STAR file: bmse010127.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: 238.23656

This is of the category: Monomers

Concentration: 70 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Vanillyl Alcohol Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.574
C2AcMe20.934
C3OMe55.841
C7A65.861
C62112.501
C46120.671
C55122.771
C101134.801
C114139.621
C123151.071
C94AcC=O168.841
C8AAcC=O170.661

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.454
C2AcMe20.784
C3OMe56.201
C7A66.101
C62113.321
C46121.041
C55123.571
C101136.231
C114140.641
C123152.191
C94AcC=O168.931
C8AAcC=O170.791
H19AcMe2.044
H20AcMe2.044
H18AcMe2.044
H22AcMe2.234
H21AcMe2.234
H23AcMe2.234
H24OMe3.801
H25OMe3.801
H26OMe3.801
H30A5.061
H31A5.061
H2766.961
H2857.031
H2927.111

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.254
C2AcMe20.594
C3OMe55.681
C7A65.101
C62112.581
C46120.161
C55122.671
C101134.991
C114138.971
C123150.691
C94AcC=O168.421
C8AAcC=O170.151