H-b-H5e (C16 H18 O4)

bmse010178 Data

Entry STAR file: bmse010178.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: 48 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

H-b-H5e image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.581
C10G61.321
C15A73.891
C16B82.251
C6A3115.521
C7A5115.521
C8B3116.791
C9B5116.791
C4A2127.711
C5A6127.711
C2B2130.181
C3B6130.181
C11B1131.411
C12A1132.131
C13A4155.781
C14B4155.531
H22BA2.251
H23BA2.251
H21BA2.251
H32G13.801
H33G23.901
H34B4.281
H35A4.981
H28A36.741
H29A56.741
H30B36.741
H31B56.741
H26A27.021
H27A67.021
H24B27.201
H25B67.201

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.451
C10G61.901
C15A73.811
C16B84.151
C6A3115.501
C7A5115.501
C8B3117.331
C9B5117.331
C4A2128.891
C5A6128.891
C2B2130.441
C3B6130.441
C11B1130.611
C12A1133.981
C13A4157.431
C14B4157.651
H22BA2.191
H23BA2.191
H21BA2.191
H32G13.771
H33G23.851
H34B4.341
H35A4.891
H28A36.781
H29A56.781
H30B36.781
H31B56.781
H26B26.991
H27B66.991
H24A27.281
H25A67.281

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1BA20.071
C10G60.071
C15A71.361
C16B83.581
C6A3114.461
C7A5114.461
C8B3116.221
C9B5116.221
C4A2128.011
C5A6128.011
C2B2129.521
C3B6129.521
C11B1129.031
C12A1132.761
C13A4156.251
C14B4156.671