Sinapic Acid Acetate (C13 H14 O6)

bmse010106 Data

Entry STAR file: bmse010106.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: 266.24666

This is of the category: Monomers

Concentration: 40 mg/ml (Source: John Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Sinapic Acid Acetate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.411
C2OMe56.271
C3OMe56.271
C62105.191
C76105.191
C5b116.921
C134131.301
C91131.931
C4A148.341
C103152.601
C115152.601
C12G162.191
C8AcC=O168.331

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.231
C2OMe56.661
C3OMe56.661
C62106.421
C76106.421
C5b117.901
C134132.151
C91132.951
C4A149.061
C103153.601
C115153.601
C12G163.111
C8AcC=O168.351
H21ACOMe2.291
H20ACOMe2.291
H22ACOMe2.291
H25OMe3.861
H24OMe3.861
H23OMe3.861
H26OMe3.861
H28OMe3.861
H27OMe3.861
H3127.131
H3267.131
H30B6.661
H29A7.791

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1AcMe20.031
C2OMe56.201
C3OMe56.201
C62105.931
C76105.931
C5b117.161
C134130.301
C91131.781
C4A148.371
C103151.971
C115151.971
C12G162.611
C8AcC=O167.741