1,11-DIBROMOUNDECANE(16696-65-4) MS
Product Name1,11-DIBROMOUNDECANE
CAS16696-65-4
Molecular FormulaC11H22Br2
Molecular Weight314.1
InChIInChI=1S/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChIKey SIBVHGAPHVRHMJ-UHFFFAOYSA-N
SmilesC(Br)CCCCCCCCCCBr
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MassMS-NW-7521 1,11-dibromoundecane C11H22Br2 (Mass of molecular ion: 312)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 22.1 28.0 2.2 29.0 23.8 39.0 13.2 40.0 2.7 41.0 69.5 42.0 11.8 43.0 56.8 44.0 2.2 53.0 5.7 54.0 4.7 55.0 100.0 56.0 10.9 57.0 64.0 58.0 3.3 67.0 6.4 68.0 3.7 69.0 68.8 70.0 6.4 71.0 47.5 72.0 2.9 81.0 3.4 82.0 2.6 83.0 38.1 84.0 3.3 85.0 35.3 86.0 2.5 93.0 1.1 95.0 2.0 97.0 35.6 98.0 3.1 99.0 4.2 107.0 5.4 109.0 5.1 111.0 10.5 112.0 1.1 121.0 3.5 123.0 2.9 135.0 39.8 136.0 2.5 137.0 37.8 138.0 1.8 148.0 2.8 149.0 8.9 150.0 3.1 151.0 8.7 153.0 2.6 162.0 1.3 163.0 7.7 164.0 1.6 165.0 7.3 177.0 9.8 179.0 8.5 191.0 5.4 193.0 5.0 233.0 3.4 235.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H22 Br2 0.05 ml : 0.5 ml CDCl3 1,11-dibromoundecane 
Assign. Shift(ppm)
A 3.40 B 1.84 C 1.42 D 1.30
Hz ppm Int.311.69 3.481 220 304.94 3.405 525 302.00 3.373 53 298.19 3.330 306 179.38 2.003 30 177.44 1.982 37 172.69 1.929 89 172.13 1.922 88 170.69 1.906 85 166.69 1.862 142 166.38 1.858 143 159.75 1.784 122 155.75 1.740 60 154.56 1.726 54 154.00 1.720 54 153.69 1.717 54 149.19 1.666 30 141.94 1.585 36 141.25 1.578 39 138.63 1.548 54 137.25 1.533 61 133.63 1.493 91 133.25 1.488 92 129.19 1.443 114 116.56 1.302 1000 107.13 1.197 59 104.38 1.166 34
in CDCl3
liquid film
