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

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	5	?	1
CX	5	?	1
CX	4	?	1
CX	4	?	1
CX	3	?	1
CX	3	?	1
CX	2	?	1
CX	2	?	1
CX	1	?	1
CX	1	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
HX	AcMe	?	1
HX	AcMe	?	1
HX	AcMe	?	1
HX	AcMe	?	1
HX	AcMe	?	1
HX	AcMe	?	1
HX	AcMe	?	1
HX	AcMe	?	1

Solvent: Acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	5	?	1
CX	5	?	1
CX	4	?	1
CX	4	?	1
CX	3	?	1
CX	3	?	1
CX	2	?	1
CX	2	?	1
CX	1	?	1
CX	1	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
CX	AcMe	?	1
C5	5	?	1
C5	5	?	1
C10	4	?	1
C10	4	?	1
C11	3	?	1
C11	3	?	1
C12	2	?	1
C12	2	?	1
C13	1	?	1
C13	1	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1
CX	AcC=O	?	1