2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE(20244-61-5) MS
Product Name2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE
CAS20244-61-5
Molecular FormulaC6H2Br4O
Molecular Weight409.7
InChIInChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChIKey NJQJGRGGIUNVAB-UHFFFAOYSA-N
SmilesC1(=O)C(Br)=CC(Br)(Br)C=C1Br
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MassMS-IW-9167 2,4,4,6-tetrabromo-2,5-cyclohexadienone C6H2Br4O (Mass of molecular ion: 406)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.5 18.0 9.0 25.0 1.9 26.0 1.4 28.0 10.4 29.0 1.1 36.0 5.6 37.0 17.0 38.0 4.6 39.0 1.4 44.0 1.8 45.0 2.4 48.0 1.2 49.0 5.8 50.0 5.4 53.0 12.1 60.0 9.2 61.0 44.4 62.0 76.3 63.0 18.8 64.0 2.2 66.0 1.1 70.0 10.2 70.5 2.5 71.0 11.4 71.5 2.5 72.0 1.3 73.0 3.6 74.0 4.6 79.0 11.5 80.0 16.4 81.0 11.0 82.0 13.2 84.0 1.6 84.5 1.0 85.0 2.9 86.0 2.1 90.0 9.1 91.0 9.1 93.0 1.7 104.0 1.1 106.0 1.0 110.0 11.7 110.5 2.1 111.0 21.8 111.5 2.8 112.0 10.9 112.5 1.3 115.0 1.6 116.0 4.7 117.0 4.9 118.0 4.7 119.0 3.4 124.0 5.5 125.0 10.8 126.0 5.4 131.0 1.3 133.0 1.1 139.0 1.0 140.0 4.7 141.0 46.1 142.0 8.8 143.0 44.4 144.0 4.4 150.0 2.1 151.0 1.4 151.5 2.4 158.0 30.1 160.0 57.2 162.0 27.7 164.0 3.0 165.0 8.3 166.0 7.9 167.0 2.7 169.0 3.4 170.0 7.0 171.0 4.8 172.0 7.1 173.0 3.4 175.0 1.5 195.0 5.1 197.0 9.4 199.0 4.8 219.0 1.0 220.0 13.2 221.0 8.0 222.0 26.3 223.0 12.2 224.0 13.0 225.0 5.6 248.0 14.3 249.0 3.5 250.0 27.7 251.0 6.5 252.0 14.4 253.0 3.1 299.0 13.3 301.0 38.5 302.0 2.4 303.0 38.0 304.0 2.2 305.0 11.8 327.0 17.0 328.0 34.3 329.0 50.5 330.0 100.0 331.0 54.2 332.0 92.5 333.0 21.3 334.0 30.0 335.0 1.9
parameter in CDCl3
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1H NMR 300 MHz C6 H2 Br4 O 0.038 g : 0.5 ml CDCl3 2,4,4,6-tetrabromo-2,5-cyclohexadienone 
Parameter ppm Hz
D(A) 7.787
Hz ppm Int.2336.10 7.787 1000
nujol mull
