6-BROMOHEXANENITRILE(6621-59-6) 13C NMR
Product Name6-BROMOHEXANENITRILE
CAS6621-59-6
Molecular FormulaC6H10BrN
Molecular Weight176.05
InChIInChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey PHOSWLARCIBBJZ-UHFFFAOYSA-N
SmilesC(#N)CCCCCBr
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MassMS-NW-6007 6-bromohexanenitrile C6H10BrN (Mass of molecular ion: 175)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.0 26.0 4.7 27.0 28.4 28.0 7.5 29.0 18.8 30.0 1.5 37.0 1.4 38.0 2.9 39.0 21.0 40.0 5.0 41.0 71.5 42.0 24.5 43.0 6.1 50.0 1.2 51.0 2.2 52.0 2.4 53.0 6.7 54.0 48.0 55.0 100.0 56.0 5.5 65.0 1.1 66.0 2.1 67.0 5.7 68.0 11.1 69.0 37.8 70.0 2.3 79.0 2.6 80.0 1.1 81.0 1.2 82.0 6.0 93.0 1.5 94.0 1.3 95.0 2.8 96.0 98.6 97.0 7.2 107.0 5.5 109.0 5.3 135.0 1.3 137.0 1.2 147.0 1.1 149.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 Br N 0.05 ml : 0.5 ml CDCl3 6-bromohexanenitrile 
Assign. Shift(ppm)
A 3.418 B 2.372 C 1.89 D 1.80 to 1.54 400MHZ : HSP-41-307
Hz ppm Int.313.31 3.499 371 306.94 3.428 1000 300.56 3.356 591 223.31 2.494 34 222.94 2.490 34 220.00 2.457 189 219.00 2.446 155 213.31 2.382 707 209.50 2.340 201 207.06 2.312 380 202.69 2.264 64 198.19 2.213 30 186.44 2.082 34 186.00 2.077 32 184.13 2.056 77 182.63 2.040 56 177.31 1.980 223 170.63 1.906 312 164.75 1.840 300 161.56 1.804 226 159.75 1.784 224 157.63 1.761 288 155.81 1.740 281 150.94 1.686 835 147.38 1.646 633 144.56 1.615 513 143.06 1.598 306 141.06 1.576 285 138.19 1.543 154 135.63 1.515 104 132.88 1.484 76 131.00 1.463 53 129.44 1.446 54
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1H NMR 399.65 MHz C6 H10 Br N 0.05 ml : 0.5 ml CDCl3 6-bromohexanenitrile Assign. Shift(ppm)
A 3.434 B 2.388 C 1.902 D 1.694 E 1.607 90MHZ : HSP-05-178
Hz ppm Int.1379.03 3.451 595 1372.31 3.434 1000 1367.92 3.423 50 1365.72 3.418 611 961.67 2.407 477 954.83 2.390 910 947.75 2.372 597 774.78 1.939 136 768.07 1.922 298 765.63 1.916 108 760.50 1.903 332 756.71 1.894 109 753.30 1.885 346 746.58 1.869 148 693.97 1.737 77 692.63 1.734 77 690.19 1.727 33 687.13 1.720 189 685.42 1.716 205 682.86 1.709 93 682.01 1.707 89 680.18 1.702 217 678.34 1.698 315 675.78 1.691 154 675.05 1.690 147 673.10 1.685 125 671.39 1.680 346 667.85 1.672 99 666.99 1.669 81 664.55 1.663 155 662.96 1.659 112 660.03 1.652 44 656.25 1.643 105 654.79 1.639 156 651.37 1.630 160 649.66 1.626 126 647.83 1.621 228 646.85 1.619 248 644.78 1.614 190 640.87 1.604 341 638.55 1.598 215 636.11 1.592 160 633.54 1.586 133 631.59 1.581 199 626.34 1.568 62 624.51 1.563 67
in CDCl3
liquid film
