3,4-dimethoxycinnamyl Acetate (C13 H16 O4)

bmse010090 Data

Entry STAR file: bmse010090.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: 236.26374

This is of the category: Monomers

Concentration: 30 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

3,4-dimethoxycinnamyl Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe21.011
C2OMe55.884
C3OMe55.944
C8G65.251
C92109.071
C75111.201
C66120.031
C4B121.191
C111129.341
C5A134.281
C133149.141
C124149.311
C10AcC=O170.841

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.791
C2OMe56.081
C3OMe56.081
C8G65.481
C92110.481
C75112.671
C66120.781
C4B122.281
C111130.371
C5A134.541
C133150.541
C124150.621
C10AcC=O170.721
H20AcMe2.021
H19AcMe2.021
H18AcMe2.021
H21OMe3.794
H23OMe3.794
H22OMe3.794
H24OMe3.824
H25OMe3.824
H26OMe3.824
H31G4.651
H32G4.651
H27B6.221
H28A6.611
H3056.891
H2966.951
H3327.101

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.641
C2OMe55.411
C3OMe55.411
C8G64.431
C92109.281
C75111.631
C66119.731
C4B121.371
C111128.811
C5A133.251
C133148.831
C124148.831
C10AcC=O170.051