Dihydrocoumaric Acid (C9 H10 O3)

bmse010064 Data

Entry STAR file: bmse010064.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: 166.1739

This is of the category: Monomers

Concentration: 120 mg/ml (Source: Irwin A. Pearl)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

View large 3D structure

Dihydrocoumaric Acid image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A29.941
C6B35.751
C43115.461
C55115.461
C12129.361
C26129.361
C71132.101
C84154.551
C9G176.901
H19B2.631
H20B2.631
H15A2.881
H16A2.881
H1736.771
H1856.771
H1327.061
H1467.061

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A30.681
C6B36.331
C43115.991
C55115.991
C12130.001
C26130.001
C71132.541
C84156.421
C9G174.681

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C3A29.581
C6B35.701
C43115.041
C55115.041
C12129.001
C26129.001
C71130.921
C84155.461
C9G173.811