1-Acetylimidazole(2466-76-4) Raman
Product Name1-Acetylimidazole
CAS2466-76-4
Molecular FormulaC5H6N2O
Molecular Weight110.11
InChIInChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
InChIKey VIHYIVKEECZGOU-UHFFFAOYSA-N
SmilesC(=O)(N1C=NC=C1)C
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MassMS-IW-2655 1-acetylimidazole C5H6N2O (Mass of molecular ion: 110)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
14.0 2.3 15.0 3.7 26.0 1.1 27.0 2.2 28.0 15.6 29.0 2.2 34.0 1.5 38.0 4.0 39.0 6.2 40.0 28.4 41.0 59.1 42.0 4.9 43.0 18.7 44.0 1.2 45.0 18.1 60.0 13.0 67.0 10.9 68.0 100.0 69.0 4.8
parameter in CDCl3
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1H NMR 300 MHz C5 H6 N2 O 25 % in CDCl3 1-acetylimidazole 
Parameter ppm Hz
D(A) 8.15 D(B) 7.08 D(C) 7.46 J(A,B) 0.8 J(A,C) 1.5 J(B,C) 1.6 D(D) 2.60 REDDY,G.S. ET AL. J.CHEM.SOC. 1963, 1414
Hz ppm Int.2446.15 8.154 107 2445.37 8.151 122 2444.70 8.149 123 2443.93 8.146 108 2239.55 7.465 94 2238.00 7.460 173 2236.51 7.455 95 2125.18 7.084 108 2124.46 7.082 119 2123.63 7.079 117 2122.85 7.076 105 780.02 2.600 1000
liquid film
