6-Bromohexanoyl chloride(22809-37-6) 13C NMR
Product Name6-Bromohexanoyl chloride
CAS22809-37-6
Molecular FormulaC6H10BrClO
Molecular Weight213.5
InChIInChI=1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKey HBPVGJGBRWIVSX-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCCCCBr
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MassMS-NW-9668 6-bromohexanoyl chloride C6H10BrClO (Mass of molecular ion: 212)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.5 27.0 14.9 28.0 3.4 29.0 4.9 36.0 6.7 38.0 2.7 39.0 14.4 40.0 3.1 41.0 42.7 42.0 10.4 43.0 6.1 48.0 2.9 49.0 1.9 51.0 1.1 53.0 4.1 54.0 4.3 55.0 75.5 56.0 3.8 60.0 2.7 63.0 3.6 65.0 1.7 67.0 5.9 68.0 8.4 69.0 100.0 70.0 8.4 73.0 1.7 77.0 1.1 78.0 18.8 79.0 4.3 80.0 7.6 81.0 1.1 82.0 2.6 91.0 6.4 93.0 2.8 95.0 1.3 96.0 2.5 97.0 45.6 98.0 3.5 105.0 1.1 107.0 5.1 109.0 4.7 115.0 1.5 132.0 3.7 133.0 2.2 134.0 3.9 135.0 5.4 137.0 4.6 148.0 2.2 149.0 3.2 150.0 2.3 151.0 3.1 176.0 1.8 177.0 30.6 178.0 3.8 179.0 30.1 180.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 Br Cl O 0.05 ml : 0.5 ml CDCl3 6-bromohexanoyl chloride 
Assign. Shift(ppm)
A 3.415 B 2.928 C 1.886 D 1.743 E 1.517
Hz ppm Int.1371.46 3.432 563 1364.75 3.415 1000 1358.03 3.399 581 1177.61 2.947 575 1170.41 2.929 913 1163.09 2.911 595 768.19 1.923 131 761.47 1.906 306 758.67 1.899 80 755.98 1.892 126 754.39 1.888 303 753.17 1.885 275 750.49 1.878 70 749.39 1.876 75 746.34 1.868 347 739.62 1.851 156 712.40 1.783 119 705.08 1.765 293 702.15 1.757 79 701.17 1.755 59 697.39 1.746 320 695.07 1.740 129 692.14 1.732 84 689.58 1.726 294 682.25 1.708 152 621.83 1.556 117 616.82 1.544 151 614.26 1.537 270 612.67 1.534 154 610.23 1.527 136 606.81 1.519 375 604.25 1.512 146 601.56 1.506 130 598.51 1.498 161 591.67 1.481 71 591.06 1.479 74
in CDCl3
liquid film
