Syringyl Alcohol Diacetate (C13 H16 O6)

bmse010128 Data

Entry STAR file: bmse010128.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: 268.26254

This is of the category: Monomers

Concentration: 70 mg/ml (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Syringyl Alcohol Diacetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.474
C2AcMe21.054
C3OMe56.211
C4OMe56.211
C7A66.371
C52105.131
C66105.131
C134128.581
C101134.421
C113152.211
C125152.211
C94AcC=O168.671
C8AAcC=O170.771

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.234
C2AcMe20.794
C3OMe56.461
C4OMe56.461
C7A66.461
C52105.671
C66105.671
C134129.431
C101135.771
C113153.191
C125153.191
C94AcC=O168.501
C8AAcC=O170.801
H20AcMe2.064
H21AcMe2.064
H22AcMe2.064
H24AcMe2.224
H23AcMe2.224
H25AcMe2.224
H28OMe3.801
H27OMe3.801
H26OMe3.801
H30OMe3.801
H29OMe3.801
H31OMe3.801
H34A5.051
H35A5.051
H3226.761
H3366.761

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.054
C2AcMe20.634
C3OMe55.911
C4OMe55.911
C7A65.451
C52104.841
C66401.841
C134127.571
C101134.491
C113151.591
C125151.591
C94AcC=O167.971
C8AAcC=O170.141