Dehydrodiveratraldehyde (C18 H18 O6)

bmse010232 Data

Entry STAR file: bmse010232.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: 330.33192

This is of the category: 5-5 Dimers

Concentration: 76 mg/ml (Source: John R. Obst)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Dehydrodiveratraldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe56.051
C23OMe56.051
C34OMe60.951
C44OMe60.951
C72110.431
C82110.431
C56127.511
C66127.511
C135131.761
C145131.761
C111132.061
C121132.061
C174152.361
C184152.361
C153153.371
C163153.371
C9A190.871
C10A190.871
H314OMe3.771
H334OMe3.771
H324OMe3.771
H364OMe3.771
H344OMe3.771
H354OMe3.771
H253OMe3.991
H263OMe3.991
H273OMe3.991
H303OMe3.991
H293OMe3.991
H283OMe3.991
H3927.511
H4027.511
H3767.401
H3867.401
H41A9.911
H42A9.911

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe56.401
C23OMe56.401
C34OMe60.981
C44OMe60.981
C72111.921
C82111.921
C56127.151
C66127.151
C135133.011
C145133.011
C111133.211
C121133.211
C174153.021
C184153.021
C153154.271
C163154.271
C9A191.511
C10A191.511
H314OMe3.751
H334OMe3.751
H324OMe3.751
H364OMe3.751
H344OMe3.751
H354OMe3.751
H253OMe4.011
H263OMe4.011
H273OMe4.011
H303OMe4.011
H293OMe4.011
H283OMe4.011
H3927.581
H4027.581
H3767.441
H3867.441
H41A9.961
H42A9.961

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C13OMe55.941
C23OMe55.941
C34OMe60.361
C44OMe60.361
C72111.391
C82111.391
C56125.971
C66125.971
C135131.521
C145131.521
C111131.761
C121131.761
C174151.501
C184151.501
C153152.821
C163152.821
C9A191.601
C10A191.601