Apocynol (C9 H12 O3)

bmse010002 Data

Entry STAR file: bmse010002.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: 168.18978

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Apocynol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B25.071
C2OMe55.881
C6A70.301
C52108.051
C45114.201
C36118.311
C71137.911
C84144.961
C93146.621
H13BMe1.461
H15BMe1.461
H14BMe1.461
H16OMe3.871
H17OMe3.871
H18OMe3.871
H22A4.811
H2056.811
H2126.911
H1966.841

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B26.221
C2OMe56.091
C6A69.811
C52109.761
C45115.211
C36118.651
C71139.671
C84146.131
C93147.971

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1B25.881
C2OMe55.421
C6A67.891
C52109.541
C45114.801
C36117.471
C71138.351
C84144.981
C93147.111