Lignin_cw_compound_195 (C14 H18 O6)

bmse010122 Data

Entry STAR file: bmse010122.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: 282.28912

This is of the category: Monomers

Concentration: Saturated (Source: Jamie Milhaupt)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C2	AcMe	20.47	4
C3	AcMe	21.36	4
C1	B	22.24	1
C4	OMe	56.17	1
C5	OMe	56.17	1
C8	A	72.28	1
C6	2	102.94	1
C7	6	102.94	1
C14	4	128.24	1
C11	1	140.03	1
C12	3	152.12	1
C13	5	152.12	1
C10	AcC=O	168.69	1
C9	AAcC=O	170.15	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C2	AcMe	20.24	4
C3	AcMe	21.12	4
C1	B	22.62	1
C4	OMe	56.44	1
C5	OMe	56.44	1
C8	A	72.64	1
C6	2	103.51	1
C7	6	103.51	1
C14	4	129.11	1
C11	1	141.50	1
C12	3	153.16	1
C13	5	153.16	1
C10	AcC=O	168.52	1
C9	AAcC=O	170.16	1
H24	AcMe	2.04	4
H25	AcMe	2.04	4
H26	AcMe	2.04	4
H27	AcMe	2.22	4
H28	AcMe	2.22	4
H29	AcMe	2.22	4
H21	B	1.49	1
H22	B	1.49	1
H23	B	1.49	1
H30	OMe	3.80	1
H31	OMe	3.80	1
H32	OMe	3.80	1
H33	OMe	3.80	1
H34	OMe	3.80	1
H35	OMe	3.80	1
H38	A	5.80	1
H36	2	6.74	1
H37	6	6.74	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
CX	AcMe	20.03	4
CX	AcMe	20.90	4
CX	B	22.02	1
CX	OMe	56.89	1
CX	OMe	56.89	1
CX	A	71.58	1
CX	2	102.54	1
CX	6	102.54	1
CX	4	127.25	1
CX	1	140.23	1
CX	3	151.57	1
CX	5	151.57	1
CX	AcC=O	168.00	1
CX	AAcC=O	169.54	1