Dibenzo-18-crown-6(14187-32-7) 13C NMR
Product NameDibenzo-18-crown-6
CAS14187-32-7
Molecular FormulaC20H24O6
Molecular Weight360.4
InChIInChI=1S/C20H24O6/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/h1-8H,9-16H2
InChIKey YSSSPARMOAYJTE-UHFFFAOYSA-N
SmilesO1CCOCCOC2=CC=CC=C2OCCOCCOC2=CC=CC=C12
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MassMS-NW-6593 dibenzo-18-crown-6 C20H24O6 (Mass of molecular ion: 360)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 3.3 18.0 3.0 26.0 1.7 27.0 8.9 28.0 3.9 29.0 6.4 31.0 2.1 38.0 1.2 39.0 5.0 41.0 6.0 42.0 1.2 43.0 28.4 44.0 3.6 45.0 25.9 50.0 2.5 51.0 5.6 52.0 20.7 53.0 3.9 55.0 2.7 63.0 4.8 64.0 7.6 65.0 16.5 66.0 2.6 69.0 2.6 71.0 8.6 73.0 2.5 76.0 1.6 77.0 9.7 78.0 2.4 79.0 4.1 80.0 31.4 81.0 12.5 82.0 1.6 91.0 10.0 92.0 4.6 93.0 7.0 94.0 2.5 95.0 3.4 107.0 5.7 108.0 8.3 109.0 20.1 110.0 11.6 111.0 1.1 119.0 2.4 120.0 2.3 121.0 100.0 122.0 9.3 123.0 1.7 134.0 1.2 135.0 9.8 136.0 95.7 137.0 30.0 138.0 3.3 149.0 1.8 151.0 1.2 154.0 1.0 162.0 1.2 163.0 6.7 165.0 1.1 180.0 7.9 181.0 4.1 207.0 3.3 224.0 1.4 360.0 31.1 361.0 7.6 362.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H24 O6 0.034 g : 0.5 ml CDCl3 dibenzo-18-crown-6 
Assign. Shift(ppm)
A 6.94 to 6.83 B 4.163 C 4.039
Hz ppm Int.2771.61 6.936 30 2771.24 6.935 31 2769.41 6.930 36 2768.07 6.927 40 2767.58 6.926 41 2763.67 6.916 76 2760.99 6.909 200 2758.06 6.902 187 2756.47 6.898 322 2753.91 6.891 381 2751.22 6.885 1000 2748.29 6.877 964 2745.61 6.871 342 2742.92 6.864 269 2741.46 6.860 146 2738.40 6.852 153 2735.72 6.846 42 1685.42 4.218 34 1684.81 4.216 34 1682.25 4.210 41 1678.71 4.201 55 1678.22 4.200 56 1675.66 4.193 71 1668.58 4.176 615 1664.18 4.165 875 1659.18 4.152 844 1651.12 4.132 35 1650.27 4.130 33 1649.90 4.129 32 1648.93 4.126 31 1648.32 4.125 32 1647.71 4.123 30 1645.63 4.118 30 1645.26 4.117 30 1644.78 4.116 30 1643.92 4.114 31 1642.70 4.111 35 1641.11 4.107 31 1640.50 4.105 31 1640.14 4.104 32 1639.53 4.103 33 1638.92 4.101 33 1638.31 4.100 35 1637.21 4.097 37 1634.64 4.091 43 1634.16 4.089 44 1633.54 4.088 45 1633.18 4.087 45 1632.45 4.085 47 1629.52 4.078 58 1618.16 4.049 552 1613.28 4.037 621 1609.01 4.027 383 1600.10 4.004 32
in CDCl3
KBr disc
nujol mull
