Dicyclohexano-18-crown-6(16069-36-6) 1H NMR
Product NameDicyclohexano-18-crown-6
CAS16069-36-6
Molecular FormulaC20H36O6
Molecular Weight372.5
InChIInChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
InChIKey BBGKDYHZQOSNMU-UHFFFAOYSA-N
SmilesO1CCOCCOC2CCCCC2OCCOCCOC2CCCCC12
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MassMS-NW-6514 dicyclohexano-18-crown-6 C20H36O6 (Mass of molecular ion: 372)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 3.6 19.0 2.2 27.0 8.4 28.0 7.9 29.0 9.0 31.0 8.6 39.0 4.0 40.0 1.0 41.0 30.7 42.0 8.4 43.0 20.2 44.0 14.1 45.0 100.0 46.0 2.3 53.0 4.6 54.0 5.8 55.0 18.9 56.0 2.1 57.0 12.4 58.0 5.7 59.0 8.1 64.0 1.3 67.0 11.6 68.0 2.8 69.0 11.3 70.0 8.3 71.0 5.4 72.0 17.0 73.0 28.5 74.0 1.2 75.0 2.3 77.0 1.1 78.0 1.5 79.0 7.1 80.0 5.8 81.0 59.9 82.0 20.0 83.0 15.2 84.0 2.5 85.0 1.7 86.0 3.4 87.0 15.8 88.0 10.9 89.0 36.0 90.0 2.0 91.0 1.3 94.0 1.0 95.0 2.3 96.0 4.2 97.0 13.5 98.0 20.6 99.0 41.2 100.0 3.8 101.0 4.8 103.0 1.5 105.0 1.7 107.0 7.1 108.0 1.1 109.0 1.1 111.0 1.2 112.0 2.9 113.0 3.4 114.0 2.5 115.0 2.0 117.0 1.6 119.0 1.4 124.0 2.6 125.0 2.3 126.0 6.4 127.0 7.6 128.0 1.2 129.0 1.8 131.0 1.0 133.0 1.7 140.0 5.4 141.0 12.8 142.0 9.5 143.0 23.9 144.0 2.4 155.0 4.3 156.0 1.8 157.0 1.5 158.0 2.3 159.0 1.1 168.0 2.2 169.0 2.2 170.0 3.0 171.0 2.8 184.0 1.0 185.0 6.8 186.0 4.3 187.0 10.8 188.0 1.2 203.0 1.0 231.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H36 O6 0.053 g : 0.5 ml CDCl3 dicyclohexano-18-crown-6 
Assign. Shift(ppm)
A 3.80 to 3.570 B 3.55 C 1.86 D 1.61 E 1.44 F 1.27
Hz ppm Int.1467.90 3.673 426 1466.43 3.670 315 1463.01 3.661 519 1458.62 3.650 245 1457.15 3.647 209 1453.86 3.638 231 1452.03 3.634 147 1449.95 3.629 238 1447.51 3.622 131 1445.56 3.618 119 1444.46 3.615 127 1432.25 3.584 107 1431.76 3.583 106 1424.07 3.564 122 1423.71 3.563 124 1423.10 3.561 128 1421.75 3.558 131 1420.90 3.556 130 1420.41 3.555 131 1420.04 3.554 133 1419.68 3.553 134 1419.07 3.551 133 1417.36 3.547 119 1413.33 3.537 123 1412.96 3.536 122 1411.25 3.532 125 747.31 1.870 107 746.58 1.869 104 744.38 1.863 112 743.65 1.861 114 743.04 1.860 111 742.19 1.858 107 741.70 1.856 107 739.26 1.850 117 738.77 1.849 114 736.45 1.843 105 735.47 1.841 107 735.11 1.840 108 645.63 1.616 104 644.90 1.614 106 644.41 1.613 105 643.19 1.610 104 641.85 1.607 117 641.24 1.605 119 640.38 1.603 122 639.16 1.600 114 637.82 1.596 119 636.11 1.592 127 635.50 1.591 125 635.01 1.589 120 633.54 1.586 109 633.18 1.585 110 632.81 1.584 109 632.57 1.583 109 632.20 1.582 110 631.35 1.580 112 584.47 1.463 104 582.03 1.457 111 581.67 1.456 112 575.07 1.439 107 574.34 1.438 112 573.85 1.436 112 573.49 1.435 115 572.75 1.434 116 572.27 1.432 116 571.78 1.431 115 516.97 1.294 113 514.04 1.287 137 513.55 1.285 136 513.31 1.285 136 511.60 1.281 131 508.79 1.274 158 508.18 1.272 159 505.37 1.265 148 505.00 1.264 148 504.52 1.263 146 501.59 1.256 116 500.49 1.253 120 500.12 1.252 121 499.63 1.251 122 498.78 1.249 120
liquid film
