H-b-H5t (C16 H18 O4)

bmse010179 Data

Entry STAR file: bmse010179.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: 274.31172

This is of the category: b-O-4 Dimers, 3-Carbon Sidechain

Concentration: 40 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

H-b-H5t image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.531
C10G60.951
C15A73.641
C16B83.321
C6A3115.611
C7A5115.611
C8B3116.641
C9B5116.641
C4A2128.381
C5A6128.381
C2B2130.191
C3B6130.191
C11B1131.171
C12A1131.421
C13A4155.951
C14B4156.211
H22BA2.251
H23BA2.251
H21BA2.251
H32G13.461
H33G23.731
H34B4.281
H35A4.911
H28A36.721
H29A56.721
H30B36.841
H31B56.841
H26A27.011
H27A67.011
H24B27.181
H25B67.181

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.461
C10G61.541
C15A73.151
C16B84.431
C6A3115.521
C7A5115.521
C8B3117.151
C9B5117.151
C4A2128.871
C5A6128.871
C2B2130.471
C3B6130.471
C11B1130.561
C12A1133.581
C13A4157.511
C14B4159.001
H22BA2.211
H23BA2.211
H21BA2.211
H32G13.481
H33G23.781
H34B4.351
H35A4.941
H28A36.781
H29A56.781
H30B36.871
H31B56.871
H26A27.271
H27A67.271
H24B27.021
H25B67.021

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.051
C10G59.991
C15A70.791
C16B83.411
C6A3114.451
C7A5114.451
C8B3115.961
C9B5115.961
C4A2127.681
C5A6127.681
C2B2129.551
C3B6129.551
C11B1128.991
C12A1132.501
C13A4156.221
C14B4156.951