Syringic Acid Acetate (C11 H12 O6)

bmse010103 Data

Entry STAR file: bmse010103.str

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Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 240.20938

This is of the category: Monomers

Concentration: 50 mg/ml (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Syringic Acid Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.431
C2OMe56.341
C3OMe56.341
C42106.901
C56106.901
C71127.151
C104133.371
C83152.191
C95152.191
C11A168.171
C6AcC=O171.251

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.231
C2OMe56.651
C3OMe56.651
C42107.121
C56107.121
C71129.341
C104133.631
C83153.211
C95153.211
C11A166.971
C6AcC=O168.181
H19AcMe2.271
H18AcMe2.271
H20AcMe2.271
H23OMe3.881
H22OMe3.881
H21OMe3.881
H25OMe3.881
H24OMe3.881
H26OMe3.881
H2727.371
H2867.371

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe19.931
C2OMe55.921
C3OMe55.921
C42105.721
C56105.721
C71128.721
C104131.441
C83151.481
C95151.481
C11A166.441
C6AcC=O167.521