Xanthoxyletin(84-99-1) 1H NMR
Product NameXanthoxyletin
CAS84-99-1
Molecular FormulaC15H14O4
Molecular Weight258.27
InChIInChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
InChIKey JSJIIHRNDMLJGK-UHFFFAOYSA-N
SmilesC12=CC3OC(C)(C)C=CC=3C(OC)=C1C=CC(=O)O2
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Parameter ppm Hz
D(A) 6.14 D(B) 7.82 D(C) 6.50 D(D) 5.68 D(E) 6.54 J(A,B) 9.4 J(A,C) 0. J(A,D) 0. J(A,E) 0. J(B,C) 0.5 J(B,D) 0. J(B,E) 0. J(C,D) 0. J(C,E) 0.7 J(D,E) 9.8 D(F) 1.46 D(G) 3.85 LASSAK,E.V. & PINHEY,J.T. J.CHEM.SOC. C 1967, 2000Spectral Code: 1H NMR : parameter in CDCl3
