Coniferyl P-coumarate (C19 H18 O5)

bmse010291 Data

Entry STAR file: bmse010291.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: 326.34322

This is of the category: Misc. Compounds

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Coniferyl P-coumarate image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.871
C12G65.351
C13A2108.441
C11BB114.451
C10A5114.981
C8B3115.931
C9B5115.931
C6A6120.621
C2B120.891
C14B1126.811
C15A1128.831
C4B2130.001
C5B6130.001
C3A134.431
C7BA145.071
C17A4145.841
C18A3146.631
C16B4158.261
C19BG167.571

Solvent: acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe56.201
C12G65.491
C13A2110.201
C11BB115.451
C10A5115.831
C8B3116.681
C9B5116.681
C6A6121.191
C2B121.721
C14B1126.901
C15A1129.391
C4B2130.911
C5B6130.911
C3A134.901
C7BA145.491
C17A4147.801
C18A3148.531
C16B4160.651
C19BG167.271
H26OMe3.861
H25OMe3.861
H27OMe3.861
H38G4.781
H39G4.781
H28B6.251
H37BB6.371
H29A6.651
H36A56.791
H34B36.881
H35B56.881
H32A66.911
H40A27.111
H30B27.541
H31B67.541
H33BA7.631
H41ArOH7.764
H42ArOH9.034

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C1OMe55.611
C12G64.621
C13A2109.911
C11BB114.131
C10A5115.461
C8B3115.811
C9B5115.811
C6A6120.121
C2B120.611
C14B1125.121
C15A1127.591
C4B2130.371
C5B6130.371
C3A133.91
C7BA144.901
C17A4146.871
C18A3147.791
C16B4159.891
C19BG166.461