ALPHA,ALPHA,ALPHA',ALPHA'-TETRABROMO-P-XYLENE(1592-31-0) MS
Product NameALPHA,ALPHA,ALPHA',ALPHA'-TETRABROMO-P-XYLENE
CAS1592-31-0
Molecular FormulaC8H6Br4
Molecular Weight421.75
InChIInChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
InChIKey VIQBABDKNOOCQD-UHFFFAOYSA-N
SmilesC1(C(Br)Br)=CC=C(C(Br)Br)C=C1
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MassMS-NW-1430 alpha,alpha,alpha',alpha'-tetrabromo-p-xylene C8H6Br4 (Mass of molecular ion: 418)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.3 18.0 5.8 26.0 1.3 27.0 1.4 28.0 1.8 36.0 1.2 37.0 2.6 38.0 5.3 39.0 5.1 44.0 2.4 49.0 3.3 49.5 1.5 50.0 29.0 50.5 2.2 51.0 38.5 51.5 1.7 52.0 6.9 61.0 2.9 62.0 5.4 63.0 10.0 73.0 1.7 74.0 12.7 75.0 21.2 76.0 18.3 77.0 2.9 79.0 3.3 80.0 5.5 81.0 3.4 82.0 5.3 83.0 2.1 85.0 1.4 87.0 1.8 89.0 1.4 90.0 9.9 90.5 2.3 91.0 9.5 91.5 1.9 98.0 2.1 99.0 1.3 100.0 1.2 101.0 17.4 102.0 83.8 103.0 7.4 117.0 1.0 130.0 11.0 130.5 1.1 131.0 20.5 131.5 1.9 132.0 10.1 169.0 1.0 170.0 1.3 171.0 1.5 180.0 3.0 181.0 2.2 182.0 3.4 183.0 2.3 197.0 2.6 199.0 2.6 216.0 1.7 218.0 2.1 260.0 51.9 261.0 5.2 262.0 100.0 263.0 9.5 264.0 48.3 265.0 4.5 297.0 1.5 299.0 1.1 339.0 19.7 340.0 2.2 341.0 57.9 342.0 5.6 343.0 55.7 344.0 5.4 345.0 18.6 346.0 1.8
parameter in CDCl3
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1H NMR 300 MHz C8 H6 Br4 saturated in CDCl3 alpha,alpha,alpha',alpha'-tetrabromo-p-xylene 
Parameter ppm Hz
D(A) 7.570 D(B) 6.628
Hz ppm Int.2271.00 7.570 1000 1988.40 6.628 500
in CDCl3
CCl4 solution
KBr disc
nujol mull
