Natural Isotopic formula weight: 424.44316
This is of the category, b-5 Dimers
lignin_cw_compound_267 image
lignin_cw_compound_267

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bmse010177 Data       Entry STAR file: bmse010177.str       

Authors: Sally Ralph, John Ralph, Larry L. Landucci NMR Database of Lignin and Cell Wall Model Compounds.
Concentration: Saturated Source: Larry L. Landucci
Spectrometer:   Bruker WM - 250 MHz

Assigned chemical shifts
Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.894
C2AcMe21.114
C3AcMe21.194
C22B50.261
C12BG65.351
C14AG65.681
C24A87.221
C11B3109.861
C4BB121.031
C9A3121.981
C10A5121.981
C13B6122.891
C7A2126.891
C8A6126.891
C21B5126.491
C6B2128.551
C18B1129.871
C5BA134.161
C19A1138.631
C20A4150.641
C23B4159.851
C17A4C=O169.441
C15BGC=O170.961
C16AGC=O170.841
H32AcMe2.074
H33AcMe2.074
H34AcMe2.074
H35AcMe2.104
H36AcMe2.104
H37AcMe2.104
H38AcMe2.304
H39AcMe2.304
H40AcMe2.304
H22B3.701
H52G14.291
H53G24.461
H49BG4.711
H50BG4.711
H55A5.541
H41BB6.141
H42BA6.611
H48B36.851
H46A37.091
H47A57.091
H43B27.271
H51B67.271
H44A27.371
H45A67.371
Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.674
C2AcMe20.814
C3AcMe20.944
C22B51.061
C12BG65.511
C14AG66.101
C24A87.851
C11B3110.201
C4BB122.131
C9A3122.881
C10A5122.881
C13B6123.881
C7A2127.701
C8A6127.701
C21B5127.981
C6B2129.191
C18B1130.821
C5BA134.431
C19A1139.841
C20A4151.771
C23B4160.771
C17A4C=O169.621
C15BGC=O170.771
C16AGC=O170.941
H32AcMe2.004
H33AcMe2.004
H34AcMe2.004
H35AcMe2.014
H36AcMe2.014
H37AcMe2.014
H38AcMe2.244
H39AcMe2.244
H40AcMe2.244
H22B3.741
H52G14.341
H53G24.461
H49BG4.661
H50BG4.661
H55A5.641
H41BB6.231
H42BA6.661
H48B36.851
H46A37.131
H47A57.131
H43B27.331
H44A27.451
H45A67.451
H51B67.451