Lignin_cw_compound_154 (C16 H16 O5)

bmse010086 Data

Entry STAR file: bmse010086.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: 288.29524

This is of the category: b-O-4 Dimers, 2-Carbon Sidechain

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_154 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.954
C2OMe56.124
C10B72.081
C9A2110.311
C5B2112.311
C8A5114.061
C6B5114.881
C4B6120.861
C28B1122.381
C7A6123.411
C11A1127.621
C16A3146.861
C14B3147.691
C15B4149.821
C12A4151.021
C13A193.171

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.261
C2OMe56.261
C10B72.421
C9A2111.841
C5B2113.681
C8A5115.421
C6B5115.711
C4B6121.481
C28B1122.551
C7A6123.941
C11A1128.241
C16A3148.301
C14B3149.141
C15B4150.861
C12A4152.691
C13A193.271
H22OMe3.834
H23OMe3.834
H24OMe3.834
H25OMe3.924
H26OMe3.924
H27OMe3.924
H35B5.361
H36B5.361

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.544
C2OMe55.624
C10B70.461
C9A2111.211
C5B2112.501
C8A5113.701
C6B5115.001
C4B6120.461
C28B1121.191
C7A6122.791
C11A1126.181
C16A3147.561
C14B3147.561
C15B4148.961
C12A4152.181
C13A192.601