ALPHA-PYRONE(504-31-4) Raman
Molecular FormulaC5H4O2
Molecular Weight96.08
InChIInChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
InChIKey ZPSJGADGUYYRKE-UHFFFAOYSA-N
SmilesC1(=O)OC=CC=C1
-

Parameter ppm Hz
D(A) 7.77
D(B) 6.43
D(C) 7.56
D(D) 6.38
J(A,B) 5.0
J(A,C) 2.4
J(A,D) 1.25
J(B,C) 6.3
J(B,D) 1.5
J(C,D) 9.4
PIRKLE,W.H. & DINES,M. J.HETEROCYCL.CHEM. 6, 1 (1969)
Spectral Code: 1H NMR : parameter in CDCl3