5_O_4_diacetovanillone (C18 H18 O6)

bmse010455 Data

Entry STAR file: bmse010455.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: 330.33192

This is of the category: 5-O-4 Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

5_O_4_diacetovanillone image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CX5?1
CX5?1
CX4?1
CX4?1
CX3?1
CX3?1
CX2?1
CX2?1
CX1?1
CX1?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
HXAcMe?1
HXAcMe?1
HXAcMe?1
HXAcMe?1
HXAcMe?1
HXAcMe?1
HXAcMe?1
HXAcMe?1

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CX5?1
CX5?1
CX4?1
CX4?1
CX3?1
CX3?1
CX2?1
CX2?1
CX1?1
CX1?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
CXAcMe?1
C55?1
C55?1
C104?1
C104?1
C113?1
C113?1
C122?1
C122?1
C131?1
C131?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1
CXAcC=O?1