2,5-Dibromotoluene(615-59-8) MS
Product Name2,5-Dibromotoluene
CAS615-59-8
Molecular FormulaC7H6Br2
Molecular Weight249.93
InChIInChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey QKEZTJYRBHOKHH-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(Br)C=C1C
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MassMS-NW-9919 2,5-dibromotoluene C7H6Br2 (Mass of molecular ion: 248)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
37.0 1.8 38.0 3.4 39.0 8.2 43.0 2.6 44.0 8.6 44.5 1.1 45.0 1.4 49.0 1.2 50.0 4.7 51.0 4.2 61.0 3.5 62.0 9.0 63.0 19.8 64.0 4.2 74.0 3.5 75.0 2.3 84.0 5.3 84.5 3.3 85.0 6.4 85.5 2.9 86.0 3.6 87.0 3.0 88.0 2.5 89.0 37.9 90.0 40.3 91.0 3.0 117.0 1.6 119.0 1.6 124.0 1.2 125.0 2.4 126.0 1.2 143.0 1.4 168.0 5.3 169.0 56.5 170.0 9.5 171.0 54.7 172.0 4.2 247.0 1.5 248.0 51.1 249.0 6.9 250.0 100.0 251.0 9.1 252.0 48.7 253.0 3.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Br2 0.05 ml : 0.5 ml CDCl3 2,5-dibromotoluene 
Assign. Shift(ppm)
A 7.317 B 7.315 C 7.117 D 2.320 J(A,C)=8.4HZ J(B,C)=2.4HZ J(B,D)=-0.7HZ J(C,D)=-0.5HZ
Hz ppm Int.2928.96 7.329 325 2925.17 7.320 249 2924.44 7.318 246 2922.73 7.314 262 2922.00 7.312 262 2920.41 7.308 389 2849.85 7.131 166 2849.37 7.130 158 2847.41 7.125 156 2846.92 7.124 148 2841.43 7.110 139 2840.82 7.109 135 2838.99 7.104 133 2838.38 7.103 127 927.25 2.321 1000
in CDCl3
liquid film
4880 A,200 M,liquid
