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1-(1H-pyrazol-1-yl)ethanone(10199-64-1) 1H NMR
Product Name1-(1H-pyrazol-1-yl)ethanone
CAS10199-64-1
Molecular FormulaC5H6N2O
Molecular Weight110.11
InChIInChI=1S/C5H6N2O/c1-5(8)7-4-2-3-6-7/h2-4H,1H3
InChIKey PGFTUYZICNEFJQ-UHFFFAOYSA-N
SmilesC(=O)(N1C=CC=N1)C
parameter in CDCl3
-
1H NMR 300 MHz C5 H6 N2 O ca 5 wt% in CDCl3 1-acetylpyrazole 
Parameter ppm Hz
D(A) 7.71 D(B) 6.44 D(C) 8.25 J(A,B) 1.5 J(A,C) 0.6 J(B,C) 2.9 D(D) 2.70 TENSMEYER,L.G. & AINWORTH,C. J.ORG.CHEM. 31, 1878 (1966) THE COUPLING CONSTANTS TAKEN FROM : WILLIAMS,J.K. J.ORG.CHEM. 29, 1377 (1964)
Hz ppm Int.2476.71 8.256 109 2476.25 8.254 110 2473.82 8.246 111 2473.36 8.245 111 2314.01 7.713 115 2313.49 7.712 124 2312.56 7.709 125 2312.05 7.707 116 1934.18 6.447 91 1932.68 6.442 96 1931.34 6.438 95 1929.84 6.433 90 810.02 2.700 1000