Product Name1,2-Bis(bromomethyl)benzene
CAS91-13-4
Molecular FormulaC8H8Br2
Molecular Weight263.96
InChIInChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKey KGKAYWMGPDWLQZ-UHFFFAOYSA-N
SmilesC1(CBr)=CC=CC=C1CBr
Mass
MS-NW-1626 alpha,alpha'-dibromo-o-xylene C8H8Br2 (Mass of molecular ion: 262)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.3 38.0 2.7 39.0 8.2 50.0 8.3 51.0 23.9 51.5 1.5 52.0 9.9 53.0 1.1 61.0 1.1 62.0 2.7 63.0 6.8 64.0 1.1 65.0 1.6 74.0 2.8 75.0 2.5 76.0 3.5 77.0 15.8 78.0 16.1 79.0 1.1 89.0 1.3 91.0 2.6 92.0 2.3 102.0 5.2 103.0 19.2 104.0 100.0 105.0 9.3 183.0 81.7 184.0 7.8 185.0 79.5 186.0 7.0 262.0 5.4 264.0 10.4 265.0 1.0 266.0 5.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H8 Br2 | 0.05 g : 0.5 ml CDCl3 |
alpha,alpha'-dibromo-o-xylene |
Assign. Shift(ppm) |
Hz ppm Int.
658.56 7.354 40 656.56 7.331 100 655.81 7.323 127 654.75 7.311 235 653.88 7.302 252 652.19 7.283 102 650.13 7.260 47 648.00 7.236 23 644.50 7.197 26 415.50 4.640 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
1,2-Bis(bromomethyl)benzene(91-13-4) Raman Atlas of Related Products
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