Lignin_cw_compound_293 (C10 H14 O4)

bmse010451 Data

Entry STAR file: bmse010451.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: 198.21576

This is of the category: Monomers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_293 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.341
C2OMe56.831
C6B72.251
C10A78.371
C52110.181
C45115.091
C36120.611
C71133.491
C84146.171
C93147.551
H15G1.031
H16G1.031
H17G1.031
H24B3.871
H18OMe3.811
H19OMe3.811
H20OMe3.811
H25A4.491
C1G19.671
C2OMe56.831
C6B73.151
C10A80.271
C52110.121
C45115.161
C36120.901
C71134.081
C84146.401
C93147.611
H15G0.961
H16G0.961
H17G0.961
H24B3.741
H18OMe3.811
H19OMe3.811
H20OMe3.811
H25A4.201

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.081
C2OMe56.201
C6B72.031
C10A78.151
C52111.201
C45115.091
C36120.321
C71134.951
C84146.391
C93147.811
H15G1.021
H16G1.021
H17G1.021
H24B3.811
H18OMe3.801
H19OMe3.801
H20OMe3.801
H25A4.451
H2256.731
H2166.771
H2326.981
C1G19.301
C2OMe56.201
C6B72.681
C10A79.801
C52111.271
C45115.211
C36120.661
C71134.901
C84146.771
C93148.021
H15G0.921
H16G0.921
H17G0.921
H24B3.691
H18OMe3.801
H19OMe3.801
H20OMe3.801
H25A4.201
H2256.731
H2166.771
H2326.951

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G18.421
C2OMe55.561
C6B70.671
C10A76.831
C52111.041
C45114.651
C36119.261
C71134.561
C84145.161
C93146.971
H15G0.931
H16G0.931
H17G0.931
H24B3.561
H18OMe3.691
H19OMe3.691
H20OMe3.691
H25A4.201
H2256.641
H2166.641
H2326.831
C1G19.001
C2OMe55.561
C6B70.891
C10A77.791
C52111.121
C45114.761
C36119.501
C71133.981
C84145.461
C93147.041
H15G0.771
H16G0.771
H17G0.771
H24B3.561
H18OMe3.691
H19OMe3.691
H20OMe3.691
H25A4.091
H2256.641
H2166.641
H2326.811