Sinapaldehyde (C11 H12 O4)

bmse010085 Data

Entry STAR file: bmse010085.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: 208.21058

This is of the category: Monomers

Concentration: 50 mg/ml (Source: Sally Ralph)

Spectrometer: Bruker WM - 250 MHz

Graphical representations:

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Sinapaldehyde image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.451
C2OMe56.451
C62105.731
C76105.731
C81125.621
C3B126.811
C114138.241
C93147.441
C105147.441
C4A153.091
C5G193.321

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.761
C2OMe56.761
C62107.391
C76107.391
C81126.151
C3B127.281
C114140.261
C93149.021
C105149.021
C4A154.221
C5G193.701
H16OMe3.901
H18OMe3.901
H17OMe3.901
H19OMe3.901
H21OMe3.901
H20OMe3.901
H22B6.691
H2527.081
H2667.081
H23A7.551
H24G9.631

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.081
C2OMe56.081
C62106.711
C76106.711
C81124.401
C3B126.031
C114139.131
C93148.021
C105148.021
C4A154.121
C5G193.751