Product Name3-Ethyl-4(3H)-pyrimidinone
Molecular FormulaC6H8N2O
Molecular Weight124.14052
InChIInChI=1S/C6H8N2O/c1-2-8-5-7-4-3-6(8)9/h3-5H,2H2,1H3
InChIKey NWAJCKQEKLVUHY-UHFFFAOYSA-N
SmilesC1=NC=CC(=O)N1CC
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Parameter ppm Hz
D(A) 8.52 D(B) 7.93 D(C) 6.40 J(A,B) 0.3 J(A,C) 0.85 J(B,C) 6.1 D(D) 3.95 D(E) 1.25 J(D,E) 7.0 BAUER,L. ET AL. J.HETEROCYCL.CHEM. 2, 447 (1965)Spectral Code: 1H NMR : parameter in DMSO-d6