1-Bromo-5-chloropentane(54512-75-3) MS
Product Name1-Bromo-5-chloropentane
CAS54512-75-3
Molecular FormulaC5H10BrCl
Molecular Weight185.49
InChIInChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
InChIKey PHHNNDKXQVKJEP-UHFFFAOYSA-N
SmilesC(Br)CCCCCl
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MassMS-NW-9509 1-bromo-5-chloropentane C5H10BrCl (Mass of molecular ion: 184)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.0 27.0 12.3 28.0 1.9 29.0 7.9 39.0 9.5 40.0 1.8 41.0 47.0 42.0 13.2 43.0 13.8 49.0 2.0 51.0 1.1 53.0 3.3 55.0 29.2 56.0 1.4 63.0 5.4 65.0 1.9 67.0 5.7 68.0 11.9 69.0 100.0 70.0 6.8 75.0 1.2 76.0 1.4 77.0 1.1 104.0 20.2 105.0 6.7 106.0 7.0 107.0 4.6 109.0 4.1 135.0 1.0 137.0 1.0 148.0 5.6 150.0 5.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 Br Cl 0.05 ml : 0.5 ml CDCl3 1-bromo-5-chloropentane 
Assign. Shift(ppm)
A 3.550 B 3.422 C 1.893 D 1.804 E 1.601
Hz ppm Int.1425.42 3.567 581 1418.95 3.551 977 1412.23 3.534 572 1374.39 3.439 570 1367.68 3.423 1000 1360.84 3.406 570 771.00 1.930 123 765.63 1.916 87 764.28 1.913 284 761.35 1.906 87 759.77 1.902 68 758.91 1.899 139 757.08 1.895 302 755.98 1.892 276 754.64 1.889 176 753.17 1.885 79 752.20 1.883 82 749.02 1.875 333 742.31 1.858 152 736.33 1.843 100 729.37 1.826 263 726.56 1.818 81 724.12 1.812 151 722.66 1.809 294 721.44 1.806 256 719.97 1.802 173 717.53 1.796 90 716.06 1.792 138 714.48 1.788 315 707.89 1.772 142 653.93 1.637 106 652.95 1.634 121 648.07 1.622 147 645.51 1.616 290 644.41 1.613 181 641.72 1.606 132 639.77 1.601 134 638.18 1.597 403 635.86 1.592 149 632.81 1.584 114 630.86 1.579 138 629.76 1.576 160 623.41 1.560 59 622.44 1.558 68
in CDCl3
liquid film
