4,5-Dichloroimidazole(15965-30-7) MS
Product Name4,5-Dichloroimidazole
CAS15965-30-7
Molecular FormulaC3H2Cl2N2
Molecular Weight136.97
InChIInChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey QAJJXHRQPLATMK-UHFFFAOYSA-N
SmilesC1NC(Cl)=C(Cl)N=1
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MassMS-IW-3640 4,5-dichloroimidazole C3H2Cl2N2 (Mass of molecular ion: 136)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.1 28.0 7.2 35.0 1.9 36.0 1.7 38.0 6.3 39.0 4.6 47.0 18.7 48.0 3.5 49.0 6.3 50.0 1.3 62.0 7.5 64.0 2.8 66.0 1.3 68.0 1.1 73.0 6.6 74.0 19.5 75.0 6.6 76.0 6.4 77.0 1.5 82.0 32.9 84.0 21.1 86.0 3.4 100.0 2.5 101.0 5.9 102.0 1.1 103.0 2.0 108.0 2.8 109.0 93.8 110.0 4.1 111.0 60.3 112.0 1.9 113.0 9.9 136.0 100.0 137.0 4.4 138.0 64.2 139.0 3.2 140.0 10.3 143.0 3.9 145.0 3.5 147.0 1.1 170.0 3.0 172.0 2.9 189.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H2 Cl2 N2 0.034 g : 0.5 ml DMSO-d6 4,5-dichloroimidazole 
Assign. Shift(ppm)
A 7.733
Hz ppm Int.3090.45 7.733 1000
in DMSO-d6 (at 80.C)
KBr disc
nujol mull
