Guaiacol Acetate (C9 H10 O3)

bmse010104 Data

Entry STAR file: bmse010104.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: 166.1739

This is of the category: Monomers

Concentration: 108 mg/ml (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Guaiacol Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.641
C2OMe55.781
C52112.391
C65120.721
C31122.781
C46126.861
C94139.751
C83151.101
C7AcC=O168.991

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.481
C2OMe56.121
C52113.411
C65121.301
C31123.661
C46127.501
C94141.011
C83152.361
C7AcC=O168.931
H15AcMe2.221
H14AcMe2.221
H13AcMe2.221
H16OMe3.791
H18OMe3.791
H17OMe3.791
H2126.931
H2257.201
H1917.051
H2067.051

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.211
C2OMe55.621
C52112.741
C65120.471
C31122.761
C46126.791
C94139.331
C83150.871
C7AcC=O168.431