1,8-Dibromooctane(4549-32-0) MS
Product Name1,8-Dibromooctane
CAS4549-32-0
Molecular FormulaC8H16Br2
Molecular Weight272.02
InChIInChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey DKEGCUDAFWNSSO-UHFFFAOYSA-N
SmilesC(Br)CCCCCCCBr
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MassMS-NW-2109 1,8-dibromooctane C8H16Br2 (Mass of molecular ion: 270)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.4 26.0 1.3 27.0 20.4 28.0 2.3 29.0 15.9 39.0 13.7 40.0 2.3 41.0 58.1 42.0 8.7 43.0 33.1 44.0 1.2 53.0 4.6 54.0 4.5 55.0 81.5 56.0 9.9 57.0 48.3 58.0 2.1 67.0 6.6 68.0 5.1 69.0 100.0 70.0 5.9 71.0 11.2 81.0 3.9 82.0 2.8 83.0 8.4 93.0 1.2 95.0 1.1 107.0 5.5 109.0 5.4 111.0 53.4 112.0 4.8 121.0 2.1 123.0 1.8 135.0 29.3 136.0 1.7 137.0 27.8 138.0 1.2 148.0 3.8 149.0 8.2 150.0 4.1 151.0 7.9 191.0 7.2 192.0 1.1 193.0 7.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 Br2 0.04 ml : 0.5 ml CDCl3 1,8-dibromooctane 
Assign. Shift(ppm)
A 3.401 B 1.86 C 1.49 D 1.34
Hz ppm Int.311.88 3.483 404 308.19 3.442 37 305.19 3.408 1000 298.50 3.333 567 179.69 2.007 34 178.69 1.996 37 178.00 1.988 39 177.25 1.980 40 176.19 1.968 51 174.31 1.947 90 173.06 1.933 105 171.44 1.915 94 169.75 1.896 91 166.75 1.862 167 159.94 1.786 143 156.06 1.743 56 155.25 1.734 47 154.88 1.730 48 154.56 1.726 50 153.81 1.718 49 153.31 1.712 51 142.25 1.589 34 141.56 1.581 36 141.00 1.575 37 140.00 1.564 41 137.81 1.539 86 135.38 1.512 90 134.00 1.497 90 133.56 1.492 90 132.19 1.476 101 130.94 1.463 116 128.88 1.440 127 128.56 1.436 126 120.88 1.350 497 119.88 1.339 580 113.25 1.265 47
in CDCl3
liquid film
4880 A,200 M,liquid
