Isoeugenol (C10 H12 O2)

bmse010052 Data

Entry STAR file: bmse010052.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: 164.20108

This is of the category: Monomers

Concentration: 100 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Isoeugenol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.301
C2OMe55.821
C72108.011
C65114.431
C56119.301
C3B123.341
C81130.661
C4A130.781
C94144.791
C103146.611
H14G1.831
H13G1.831
H15G1.831
H16OMe3.841
H17OMe3.841
H18OMe3.841
H19B6.051
H20A6.301

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.381
C2OMe56.131
C72109.641
C65115.661
C56119.891
C3B122.971
C81130.931
C4A131.861
C94146.611
C103148.281

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.051
C2OMe55.501
C72109.411
C65115.411
C56118.781
C3B121.981
C81129.111
C4A130.871
C94145.801
C103147.641