2,6-DIBROMOQUINONE-4-CHLOROIMIDE(537-45-1) MS
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
400 MHz in CDCl3
90 MHz in CDCl3
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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
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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
in CDCl3
CCl4 solution
KBr disc
nujol mull
