Lignin_cw_compound_295 (C13 H16 O5)

bmse010201 Data

Entry STAR file: bmse010201.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: 252.26314

This is of the category: Monomers

Concentration: Saturated (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_295 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.401
C2AcMe20.691
C3OMe55.924
C4OMe56.034
C8B70.951
C65110.101
C72110.661
C56122.921
C101127.291
C123149.231
C114153.701
C9AcC=O170.351
C13A195.211
H20G1.531
H21G1.531
H19G1.531
H23AcMe2.151
H22AcMe2.151
H24AcMe2.151
H25OMe3.934
H27OMe3.934
H26OMe3.934
H29OMe3.964
H30OMe3.964
H28OMe3.964
H34B5.961
H3256.911
H3327.521
H3167.591

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.701
C2AcMe20.601
C3OMe56.124
C4OMe56.254
C8B71.981
C65111.661
C72111.691
C56123.751
C101128.231
C123150.391
C114154.981
C9AcC=O170.471
C13A195.541
H20G1.461
H21G1.461
H19G1.461
H23AcMe2.051
H22AcMe2.051
H24AcMe2.051
H293OMe3.861
H303OMe3.861
H283OMe3.861
H254OMe3.901
H274OMe3.901
H264OMe3.901
H34B5.971
H3257.061
H3327.501
H3167.671

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1G17.321
C2AcMe20.421
C3OMe55.554
C4OMe55.804
C8B71.131
C65110.451
C72111.051
C56123.081
C101126.481
C123148.831
C114153.571
C9AcC=O169.781
C13A194.951
H20G1.401
H21G1.401
H19G1.401
H23AcMe2.061
H22AcMe2.061
H24AcMe2.061
H25OMe3.814
H27OMe3.814
H26OMe3.814
H29OMe3.854
H30OMe3.854
H28OMe3.854
H34B5.991
H3257.081
H3327.431
H3167.681