1,3-Bis(bromomethyl)benzene(626-15-3) IR2
Product Name1,3-Bis(bromomethyl)benzene
CAS626-15-3
Molecular FormulaC8H8Br2
Molecular Weight263.96
InChIInChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKey OXHOPZLBSSTTBU-UHFFFAOYSA-N
SmilesC1(CBr)=CC=CC(CBr)=C1
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MassMS-NW-1775 alpha,alpha'-dibromo-m-xylene C8H8Br2 (Mass of molecular ion: 262)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.4 26.0 1.0 27.0 3.1 37.0 1.5 38.0 4.4 39.0 12.5 49.0 1.0 50.0 10.0 51.0 26.5 51.5 1.6 52.0 15.4 53.0 1.7 61.0 1.8 62.0 4.6 63.0 10.6 64.0 2.1 65.0 2.8 74.0 3.8 75.0 3.3 76.0 4.2 77.0 20.3 78.0 19.5 79.0 1.7 80.0 1.2 81.0 1.7 82.0 1.3 89.0 2.0 91.0 2.0 92.0 1.8 102.0 6.2 103.0 22.2 104.0 100.0 105.0 10.5 182.0 1.7 183.0 86.0 184.0 9.3 185.0 84.4 186.0 7.5 261.0 1.0 262.0 4.7 263.0 2.4 264.0 8.5 265.0 1.7 266.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 Br2 0.12 g : 0.5 ml CDCl3 alpha,alpha'-dibromo-m-xylene 
Assign. Shift(ppm)
A 7.39 B 7.31 C 7.29 D 4.445 CONFIRMED BY LAOCN PROGRAM
Hz ppm Int.662.25 7.395 104 654.31 7.306 559 653.06 7.292 371 398.19 4.447 1000 393.00 4.389 22
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
