1-BROMO-2,3,5-TRICHLOROBENZENE(81067-38-1) MS
Product Name1-BROMO-2,3,5-TRICHLOROBENZENE
CAS81067-38-1
Molecular FormulaC6H2BrCl3
Molecular Weight260.34
InChIInChI=1S/C6H2BrCl3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChIKey WOIGJFAVHOCDDW-UHFFFAOYSA-N
SmilesC1(Br)=CC(Cl)=CC(Cl)=C1Cl
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MassMS-KW-0278 1-bromo-2,3,5-trichlorobenzene C6H2BrCl3 (Mass of molecular ion: 258)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
36.0 2.2 37.0 5.2 38.0 1.6 49.0 2.9 50.0 1.5 54.0 2.2 54.5 1.3 60.0 1.3 61.0 2.1 62.0 1.1 71.0 1.2 71.5 3.8 72.0 6.7 72.5 2.8 73.0 12.1 74.0 20.3 75.0 1.6 84.0 7.2 86.0 2.4 89.0 2.0 89.5 3.1 90.0 2.1 90.5 2.8 107.0 1.0 108.0 9.4 109.0 13.2 110.0 3.9 111.0 4.9 112.0 1.7 118.0 1.1 129.0 4.6 130.0 8.9 131.0 5.7 132.0 1.5 143.0 11.1 144.0 10.4 145.0 8.5 146.0 6.7 147.0 2.1 148.0 1.1 179.0 33.5 180.0 2.7 181.0 32.2 182.0 2.3 183.0 10.3 185.0 1.1 223.0 1.4 224.0 1.2 225.0 2.3 226.0 1.8 227.0 1.1 258.0 51.8 259.0 3.7 260.0 100.0 261.0 6.7 262.0 63.6 263.0 4.3 264.0 17.0 265.0 1.1 266.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H2BrCl3 0.039 g : 0.5 ml CDCl3 1-bromo-2,3,5-trichlorobenzene 
Assign. Shift(ppm)
A 7.552 B 7.435
Hz ppm Int.3020.51 7.556 919 3018.19 7.550 965 2973.39 7.438 1000 2971.07 7.432 886
in CDCl3
Nujol
