1,2,3-trimethoxybenzene (C9 H12 O3)

bmse010218 Data

Entry STAR file: bmse010218.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: 80 mg/ml (Source: Aldrich)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

1,2,3-trimethoxybenzene image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe56.091
C25OMe56.091
C34OMe60.801
C52105.341
C66105.341
C41123.611
C74138.271
C83153.561
C95153.561
H133OMe3.851
H153OMe3.851
H143OMe3.851
H165OMe3.851
H185OMe3.851
H175OMe3.851
H194OMe3.851
H204OMe3.851
H214OMe3.851
H2326.571
H2466.571
H2216.981

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe56.351
C25OMe56.351
C34OMe60.431
C52106.541
C66106.541
C41124.301
C74139.521
C83154.671
C95154.671

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe55.771
C25OMe55.771
C34OMe59.901
C52105.561
C66105.561
C41123.571
C74137.691
C83153.161
C95153.161