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
Mass
MS-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
1H NMR | 89.56 MHz |
C8 H8 Br2 | 0.12 g : 0.5 ml CDCl3 |
alpha,alpha'-dibromo-m-xylene |
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Assign. Shift(ppm) |
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
1,3-Bis(bromomethyl)benzene(626-15-3) Raman Atlas of Related Products
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