1-(Trichloroacetyl)-1H-imidazole(56739-51-6) MS
Product Name1-(Trichloroacetyl)-1H-imidazole
CAS56739-51-6
Molecular FormulaC5H3Cl3N2O
Molecular Weight213.45
InChIInChI=1S/C5H3Cl3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
InChIKey UFXIZBWYTMFFEC-UHFFFAOYSA-N
SmilesC(=O)(N1C=NC=C1)C(Cl)(Cl)Cl
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MassMS-NW-5128 1-(trichloroacetyl)imidazole C5H3Cl3N2O (Mass of molecular ion: 212)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 4.8 27.0 1.1 28.0 6.3 35.0 1.3 36.0 2.5 38.0 2.1 39.0 4.7 40.0 36.7 41.0 2.8 44.0 1.3 47.0 5.6 49.0 2.0 51.0 1.7 52.0 3.2 60.0 1.0 61.0 2.1 62.0 1.8 63.0 1.4 67.0 2.1 68.0 19.2 82.0 9.2 83.0 2.5 84.0 6.2 85.0 1.7 86.0 1.2 95.0 100.0 96.0 5.5 102.0 1.3 110.0 16.9 112.0 11.0 114.0 1.8 117.0 23.8 119.0 23.0 121.0 7.4 122.0 9.0 123.0 1.1 124.0 6.0 126.0 1.0 149.0 5.5 151.0 3.5 212.0 16.2 213.0 1.2 214.0 15.2 215.0 1.1 216.0 5.1
parameter in CDCl3
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1H NMR 300 MHz C5 H3 Cl3 N2 O 0.04 ml : 0.5 ml CDCl3 1-(trichloroacetyl)imidazole 
Parameter ppm Hz
D(A) 8.471 D(B) 7.715 D(C) 7.138 J(A,B) 1.4 J(A,C) 0.7 J(B,C) 1.8
Hz ppm Int.2542.32 8.474 795 2541.65 8.472 906 2540.97 8.470 911 2540.30 8.468 805 2316.10 7.720 673 2314.49 7.715 1000 2312.92 7.710 677 2142.61 7.142 786 2141.97 7.140 828 2140.84 7.136 816 2140.19 7.134 770
in CDCl3
liquid film
