1,1'-Carbonyldiimidazole(530-62-1) 1H NMR
Product Name1,1'-Carbonyldiimidazole
CAS530-62-1
Molecular FormulaC7H6N4O
Molecular Weight162.15
InChIInChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
InChIKey PFKFTWBEEFSNDU-UHFFFAOYSA-N
SmilesC(N1C=NC=C1)(N1C=NC=C1)=O
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MassMS-KW-0104 1,1'-carbonyldiimidazole C7H6N4O (Mass of molecular ion: 162)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
26.0 1.3 28.0 4.7 38.0 1.2 39.0 3.6 40.0 37.9 41.0 10.6 44.0 1.4 52.0 1.4 67.0 7.5 68.0 100.0 69.0 4.3 95.0 28.6 96.0 1.5 120.0 38.0 121.0 2.9 135.0 11.4 162.0 55.7 163.0 6.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 N4 O 0.035 g : 0.5 ml CDCl3 1,1'-carbonyldiimidazole 
Assign. Shift(ppm)
A 8.212 B 7.547 C 7.251
Hz ppm Int.3283.08 8.215 692 3282.23 8.213 840 3281.86 8.212 841 3281.01 8.210 681 3017.94 7.552 720 3016.36 7.548 1000 3014.89 7.544 728 2899.05 7.254 749 2898.32 7.253 799 2897.34 7.250 789 2896.61 7.248 731
in CDCl3
nujol mull
