2-Bromooctane(557-35-7) 13C NMR
Product Name2-Bromooctane
CAS557-35-7
Molecular FormulaC8H17Br
Molecular Weight193.12
InChIInChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
InChIKey FTJHYGJLHCGQHQ-UHFFFAOYSA-N
SmilesCC(Br)CCCCCC
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MassMS-NW-0705 2-bromooctane C8H17Br (Mass of molecular ion: 192)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 2.2 17.0 1.2 18.0 5.9 26.0 1.1 27.0 15.2 28.0 50.1 29.0 21.0 39.0 13.5 40.0 2.4 41.0 45.1 42.0 15.1 43.0 62.6 44.0 2.0 51.0 1.1 53.0 3.2 54.0 2.0 55.0 28.2 56.0 13.6 57.0 100.0 58.0 4.6 65.0 1.0 67.0 1.9 68.0 1.1 69.0 11.5 70.0 10.1 71.0 81.9 72.0 4.9 83.0 4.2 84.0 1.9 85.0 1.1 106.0 1.3 107.0 3.4 112.0 2.2 113.0 29.2 114.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H17 Br 0.04 ml : 0.5 ml CDCl3 2-bromooctane 
Assign. Shift(ppm)
A 4.110 B 1.7 C 1.702 D 1.53 to 1.11 E 0.893 J(A,C)=6.6HZ
Hz ppm Int.373.31 4.169 68 366.94 4.098 85 360.38 4.024 62 166.31 1.857 67 165.00 1.843 84 163.13 1.822 84 162.75 1.818 82 161.81 1.807 83 161.19 1.800 84 160.81 1.796 86 160.38 1.791 89 157.38 1.758 132 155.69 1.739 1000 153.69 1.717 122 151.88 1.696 116 150.69 1.683 129 149.06 1.665 920 147.00 1.642 100 144.75 1.617 71 143.75 1.606 66 143.06 1.598 65 142.50 1.592 63 141.81 1.584 69 140.88 1.574 62 140.50 1.569 61 139.31 1.556 65 138.88 1.551 65 138.56 1.548 67 137.00 1.530 81 136.19 1.521 78 117.63 1.314 437 85.13 0.951 143 83.56 0.934 129 83.00 0.927 125 82.63 0.923 124 79.50 0.888 351 75.19 0.840 85 74.56 0.833 87 73.94 0.826 91 73.56 0.822 94 72.31 0.808 77
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
