345_trimethoxy_cinnamyl_alcohol (C12 H16 O4)

bmse010457 Data

Entry STAR file: bmse010457.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: 224.25304

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

345_trimethoxy_cinnamyl_alcohol image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C13 OMe55.991
C25 OMe55.991
C34 OMe60.851
C6G63.471
C82103.471
C76103.471
C5A128.041
C4B130.921
C91132.401
C124137.781
C113153.221
C105153.221

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C13 OMe56.331
C25 OMe56.331
C34 OMe60.531
C6G63.171
C82104.551
C76104.551
C5A130.111
C4B130.321
C91133.871
C124138.761
C113154.411
C105154.411
H234 OMe3.692
H244 OMe3.692
H254 OMe3.692
H203 OMe3.822
H223 OMe3.822
H213 OMe3.822
H175 OMe3.822
H195 OMe3.822
H185 OMe3.822
H32OH3.891
H28G4.214
H29G4.214
H26B6.321
H27A6.531
H3126.723
H3026.723

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C13 OMe55.781
C25 OMe55.781
C34 OMe59.991
C6G61.431
C82103.431
C76103.431
C5A128.551
C4B130.161
C91132.651
C124136.831
C113152.941
C105152.941