Biphenyl Methane (C21 H28 O4)

Biphenyl Methane bmse010190 - Data

bmse010190 Data

Entry STAR file: bmse010190.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: 344.44462

This is of the category: Biphenyl methane Dimer

Concentration: 40 mg/ml (Source: Forest Products Laboratory)

Spectrometer: Bruker WM - 250 MHz

Solvent: CDCl3
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	G	13.78	1
C2	G	13.78	1
C5	B	24.79	1
C6	B	24.79	1
C13	CH2	29.39	1
C7	A	27.80	1
C8	A	27.80	1
C3	OMe	55.93	1
C4	OMe	55.93	1
C11	2	109.14	1
C12	2	109.14	1
C9	6	122.36	1
C10	6	122.36	1
C16	5	126.13	1
C17	5	126.13	1
C14	1	134.02	1
C15	1	134.02	1
C20	4	141.01	1
C21	4	141.01	1
C18	3	146.41	1
C19	3	146.41	1
H27	G	0.91	1
H26	G	0.91	1
H28	G	0.91	1
H29	G	0.91	1
H30	G	0.91	1
H31	G	0.91	1
H38	B	1.57	1
H39	B	1.57	1
H40	B	1.57	1
H41	B	1.57	1
H42	A	2.46	1
H43	A	2.46	1
H44	A	2.46	1
H45	A	2.46	1
H32	OMe	3.85	1
H34	OMe	3.85	1
H33	OMe	3.85	1
H37	OMe	3.85	1
H35	OMe	3.85	1
H36	OMe	3.85	1
H50	CH2	3.93	1
H51	CH2	3.93	1
H46	6	6.55	1
H47	6	6.55	1
H48	2	6.61	1
H49	2	6.61	1
H52	OH	6.00	1
H53	OH	6.00	1

Solvent: acetone
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	G	14.04	1
C2	G	14.04	1
C5	B	25.57	1
C6	B	25.57	1
C13	CH2	29.56	1
C7	A	38.42	1
C8	A	38.42	1
C3	OMe	56.27	1
C4	OMe	56.27	1
C11	2	110.18	1
C12	2	110.18	1
C9	6	123.13	1
C10	6	123.13	1
C16	5	127.59	1
C17	5	127.59	1
C14	1	133.74	1
C15	1	133.74	1
C20	4	142.84	1
C21	4	142.84	1
C18	3	147.75	1
C19	3	147.75	1
H27	G	0.87	1
H26	G	0.87	1
H28	G	0.87	1
H29	G	0.87	1
H30	G	0.87	1
H31	G	0.87	1
H38	B	1.53	1
H39	B	1.53	1
H40	B	1.53	1
H41	B	1.53	1
H42	A	2.41	1
H43	A	2.41	1
H44	A	2.41	1
H45	A	2.41	1
H32	OMe	3.79	1
H34	OMe	3.79	1
H33	OMe	3.79	1
H37	OMe	3.79	1
H35	OMe	3.79	1
H36	OMe	3.79	1
H50	CH2	3.94	1
H51	CH2	3.94	1
H46	6	6.57	1
H47	6	6.57	1
H48	2	6.63	1
H49	2	6.63	1
H52	OH	7.23	1
H53	OH	7.23	1

Solvent: DMSO
Atom ID	Author Nomenclature	Value	Ambiguity Code
C1	G	13.59	1
C2	G	13.59	1
C5	B	24.34	1
C6	B	24.34	1
C13	CH2	28.74	1
C7	A	37.10	1
C8	A	37.10	1
C3	OMe	55.73	1
C4	OMe	55.73	1
C11	2	109.62	1
C12	2	109.62	1
C9	6	121.77	1
C10	6	121.77	1
C16	5	127.08	1
C17	5	127.08	1
C14	1	132.02	1
C15	1	132.02	1
C20	4	141.72	1
C21	4	141.72	1
C18	3	147.05	1
C19	3	147.05	1
H27	G	0.82	1
H26	G	0.82	1
H28	G	0.82	1
H29	G	0.82	1
H30	G	0.82	1
H31	G	0.82	1
H38	B	1.47	1
H39	B	1.47	1
H40	B	1.47	1
H41	B	1.47	1
H42	A	2.35	1
H43	A	2.35	1
H44	A	2.35	1
H45	A	2.35	1
H32	OMe	3.75	1
H34	OMe	3.75	1
H33	OMe	3.75	1
H37	OMe	3.75	1
H35	OMe	3.75	1
H36	OMe	3.75	1
H50	CH2	3.74	1
H51	CH2	3.74	1
H46	6	6.37	1
H47	6	6.37	1
H48	2	6.59	1
H49	2	6.59	1
H52	OH	8.22	1
H53	OH	8.22	1