1-Chloropentane(543-59-9) IR2
Product Name1-Chloropentane
CAS543-59-9
Molecular FormulaC5H11Cl
Molecular Weight106.59
InChIInChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey SQCZQTSHSZLZIQ-UHFFFAOYSA-N
SmilesC(Cl)CCCC
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MassMS-NW-9194 1-chloropentane C5H11Cl (Mass of molecular ion: 106)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.0 26.0 2.5 27.0 26.8 28.0 6.1 29.0 37.7 36.0 1.3 38.0 2.1 39.0 18.7 40.0 3.7 41.0 69.7 42.0 100.0 43.0 38.9 44.0 1.3 49.0 4.1 50.0 1.0 51.0 2.2 53.0 2.7 54.0 1.5 55.0 92.9 56.0 6.3 57.0 21.9 58.0 1.0 62.0 1.3 63.0 4.8 65.0 1.6 69.0 3.0 70.0 95.1 71.0 5.9 77.0 1.1 91.0 2.7 106.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 Cl 0.04 ml : 0.5 ml CDCl3 1-chloropentane 
Assign. Shift(ppm)
A 3.522 B 1.78 C 1.60 to 1.10 D 0.93
Hz ppm Int.322.63 3.603 385 316.00 3.529 1000 309.38 3.455 591 172.88 1.931 31 168.44 1.881 58 167.56 1.871 53 166.13 1.855 115 164.94 1.842 93 163.19 1.823 87 162.81 1.818 85 162.50 1.815 85 162.06 1.810 82 159.63 1.783 176 158.75 1.773 170 157.25 1.756 108 155.00 1.731 84 153.13 1.710 162 152.44 1.703 141 151.25 1.689 97 149.38 1.668 63 146.50 1.636 73 145.50 1.625 50 144.25 1.611 50 142.44 1.591 40 140.13 1.565 58 138.31 1.545 49 137.94 1.541 49 136.56 1.525 98 135.69 1.516 72 134.69 1.504 89 134.31 1.500 87 132.50 1.480 192 129.06 1.442 234 127.75 1.427 236 126.44 1.412 254 125.44 1.401 403 124.38 1.389 324 122.69 1.370 252 122.25 1.366 256 121.50 1.357 331 120.31 1.344 252 119.38 1.333 163 117.75 1.315 363 115.31 1.288 122 114.88 1.283 117 114.56 1.280 116 113.25 1.265 75 112.25 1.254 72 110.44 1.234 66 109.63 1.225 72 105.69 1.181 35 105.00 1.173 31 104.44 1.167 39 104.13 1.163 38 103.81 1.160 40 101.75 1.137 37 101.63 1.135 37 92.06 1.028 51 91.56 1.023 52 90.50 1.011 61 89.38 0.998 179 88.38 0.987 271 87.63 0.979 258 86.44 0.966 163 85.63 0.957 150 82.00 0.916 735 80.00 0.894 172 79.13 0.884 148 76.56 0.855 128 76.06 0.850 131 74.69 0.834 104 72.75 0.813 59 72.13 0.806 54
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
