2,6-DIBROMOQUINONE-4-CHLOROIMIDE(537-45-1) IR2
Product Name2,6-DIBROMOQUINONE-4-CHLOROIMIDE
CAS537-45-1
Molecular FormulaC6H2Br2ClNO
Molecular Weight299.35
InChIInChI=1S/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
InChIKey JYWKEVKEKOTYEX-UHFFFAOYSA-N
SmilesC1(=O)C(Br)=C/C(=N\Cl)/C=C1Br
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MassMS-NW-0396 2,6-dibromo-N-chloro-p-benzoquinone monoimine C6H2Br2ClNO (Mass of molecular ion: 297)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.5 25.0 4.5 26.0 1.3 28.0 1.6 35.0 1.0 36.0 3.9 37.0 6.2 38.0 1.8 48.0 1.5 49.0 6.8 50.0 11.2 51.0 25.4 52.0 11.6 53.0 51.4 54.0 1.8 55.5 1.5 60.0 1.8 61.0 4.8 62.0 3.5 74.0 1.5 75.0 10.6 76.0 23.4 77.0 2.2 78.0 2.2 79.0 2.9 80.0 1.0 81.0 2.6 86.0 6.0 88.0 2.0 95.0 1.4 96.0 1.8 104.0 9.4 105.0 1.5 106.0 9.9 107.0 1.3 110.0 4.1 111.0 3.8 112.0 1.7 113.0 1.3 114.0 9.0 116.0 2.9 128.0 1.1 129.0 4.0 130.0 25.7 131.0 6.1 132.0 24.7 133.0 2.1 141.0 1.5 154.0 12.9 155.0 8.4 156.0 14.9 157.0 10.4 158.0 15.5 159.0 2.9 160.0 13.2 163.0 1.2 165.0 4.3 167.0 12.6 169.0 12.5 171.0 2.9 183.0 3.3 184.0 7.8 185.0 4.2 186.0 7.7 190.0 11.5 192.0 14.8 194.0 3.8 210.0 1.6 218.0 16.2 219.0 1.6 220.0 21.5 221.0 1.9 222.0 5.4 234.0 4.9 236.0 11.3 238.0 8.5 240.0 2.0 262.0 1.1 263.0 9.7 264.0 3.0 265.0 19.4 266.0 2.8 267.0 9.9 269.0 1.5 271.0 2.7 273.0 2.0 297.0 45.0 298.0 3.2 299.0 100.0 300.0 6.8 301.0 68.5 302.0 4.9 303.0 13.4
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C6 H2 Br2 Cl N O saturated in CDCl3 2,6-dibromo-N-chloro-p-benzoquinone monoimine 
Assign. Shift(ppm)
A 8.258 B 7.763
Hz ppm Int.741.00 8.274 895 738.44 8.246 1000 696.56 7.778 994 695.50 7.766 38 694.00 7.749 892
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1H NMR 399.65 MHz C6 H2 Br2 Cl N O 0.042 g : 0.5 ml CDCl3 2,6-dibromo-N-chloro-p-benzoquinone monoimine Assign. Shift(ppm)
A *1 8.268 B *1 7.774
Hz ppm Int.3308.11 8.278 33 3305.54 8.272 1000 3302.98 8.265 990 3300.42 8.259 24 3108.40 7.778 984 3105.83 7.772 967 3103.52 7.766 41
in CDCl3
CCl4 solution
KBr disc
nujol mull
