1-Bromopentane(110-53-2) MS
Product Name1-Bromopentane
CAS110-53-2
Molecular FormulaC5H11Br
Molecular Weight151.04
InChIInChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey YZWKKMVJZFACSU-UHFFFAOYSA-N
SmilesC(Br)CCCC
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MassMS-NW-2069 1-bromopentane C5H11Br (Mass of molecular ion: 150)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.2 26.0 2.0 27.0 18.7 28.0 2.5 29.0 22.2 39.0 10.1 40.0 1.9 41.0 33.1 42.0 30.2 43.0 100.0 44.0 3.4 53.0 1.2 55.0 27.1 56.0 1.4 57.0 1.5 69.0 1.6 70.0 5.1 71.0 84.0 72.0 4.6 107.0 1.6 109.0 1.7 150.0 3.5 152.0 3.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 Br 0.04 ml : 0.5 ml CDCl3 1-bromopentane 
Assign. Shift(ppm)
A 3.398 B 1.86 C 1.44 D 1.32 E 0.93
Hz ppm Int.311.63 3.480 392 304.94 3.405 1000 302.38 3.377 35 298.13 3.329 552 296.56 3.312 37 181.94 2.032 31 180.69 2.018 37 176.50 1.971 51 175.69 1.962 70 173.94 1.943 120 172.75 1.929 89 171.50 1.915 77 170.13 1.900 92 169.50 1.893 87 167.31 1.869 176 166.38 1.858 153 164.13 1.833 88 163.31 1.824 85 161.88 1.808 88 160.63 1.794 140 159.94 1.786 148 157.94 1.764 62 156.38 1.747 43 156.00 1.742 42 154.88 1.730 47 153.63 1.716 67 151.94 1.697 31 141.63 1.582 33 140.50 1.569 48 139.19 1.555 31 138.13 1.543 43 136.00 1.519 57 134.50 1.502 78 132.63 1.481 183 129.25 1.444 229 127.63 1.426 207 126.44 1.412 225 125.38 1.400 395 124.50 1.391 333 122.56 1.369 247 121.69 1.359 294 121.19 1.354 267 120.31 1.344 218 119.25 1.332 157 117.88 1.317 364 115.50 1.290 114 114.44 1.278 112 113.19 1.264 68 112.25 1.254 74 110.38 1.233 63 109.44 1.222 70 108.50 1.212 52 105.63 1.180 33 103.63 1.158 40 101.75 1.137 33 93.81 1.048 30 93.38 1.043 30 92.81 1.037 35 92.06 1.028 44 91.38 1.021 46 90.50 1.011 56 89.31 0.998 161 88.38 0.987 258 87.56 0.978 250 86.44 0.966 140 85.63 0.957 139 85.00 0.950 132 84.00 0.938 184 81.94 0.915 682 79.56 0.889 148 78.81 0.880 141 76.56 0.855 123 76.00 0.849 127 74.56 0.833 105 74.06 0.827 89 72.56 0.811 58 72.00 0.804 52
in CDCl3
CCl4 solution
liquid film
