Biphenyl Methane (C21 H28 O4)

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

Graphical representations:

View large 3D structure

Biphenyl Methane image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G13.781
C2G13.781
C5B24.791
C6B24.791
C13CH229.391
C7A27.801
C8A27.801
C3OMe55.931
C4OMe55.931
C112109.141
C122109.141
C96122.361
C106122.361
C165126.131
C175126.131
C141134.021
C151134.021
C204141.011
C214141.011
C183146.411
C193146.411
H27G0.911
H26G0.911
H28G0.911
H29G0.911
H30G0.911
H31G0.911
H38B1.571
H39B1.571
H40B1.571
H41B1.571
H42A2.461
H43A2.461
H44A2.461
H45A2.461
H32OMe3.851
H34OMe3.851
H33OMe3.851
H37OMe3.851
H35OMe3.851
H36OMe3.851
H50CH23.931
H51CH23.931
H4666.551
H4766.551
H4826.611
H4926.611
H52OH6.001
H53OH6.001

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G14.041
C2G14.041
C5B25.571
C6B25.571
C13CH229.561
C7A38.421
C8A38.421
C3OMe56.271
C4OMe56.271
C112110.181
C122110.181
C96123.131
C106123.131
C165127.591
C175127.591
C141133.741
C151133.741
C204142.841
C214142.841
C183147.751
C193147.751
H27G0.871
H26G0.871
H28G0.871
H29G0.871
H30G0.871
H31G0.871
H38B1.531
H39B1.531
H40B1.531
H41B1.531
H42A2.411
H43A2.411
H44A2.411
H45A2.411
H32OMe3.791
H34OMe3.791
H33OMe3.791
H37OMe3.791
H35OMe3.791
H36OMe3.791
H50CH23.941
H51CH23.941
H4666.571
H4766.571
H4826.631
H4926.631
H52OH7.231
H53OH7.231

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G13.591
C2G13.591
C5B24.341
C6B24.341
C13CH228.741
C7A37.101
C8A37.101
C3OMe55.731
C4OMe55.731
C112109.621
C122109.621
C96121.771
C106121.771
C165127.081
C175127.081
C141132.021
C151132.021
C204141.721
C214141.721
C183147.051
C193147.051
H27G0.821
H26G0.821
H28G0.821
H29G0.821
H30G0.821
H31G0.821
H38B1.471
H39B1.471
H40B1.471
H41B1.471
H42A2.351
H43A2.351
H44A2.351
H45A2.351
H32OMe3.751
H34OMe3.751
H33OMe3.751
H37OMe3.751
H35OMe3.751
H36OMe3.751
H50CH23.741
H51CH23.741
H4666.371
H4766.371
H4826.591
H4926.591
H52OH8.221
H53OH8.221