N-PHENYLAZA-15-CROWN 5-ETHER(66750-10-5) MS
Product NameN-PHENYLAZA-15-CROWN 5-ETHER
CAS66750-10-5
Molecular FormulaC16H25NO4
Molecular Weight295.37
InChIInChI=1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2
InChIKey SGDQOAKAHLFKBV-UHFFFAOYSA-N
SmilesO1CCN(C2=CC=CC=C2)CCOCCOCCOCC1
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MassMS-IW-5012 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane C16H25NO4 (Mass of molecular ion: 295)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.2 27.0 1.7 28.0 2.8 29.0 1.8 31.0 2.5 41.0 1.5 42.0 2.1 43.0 5.8 44.0 2.7 45.0 10.3 51.0 2.4 56.0 1.5 59.0 1.5 65.0 1.4 71.0 1.2 73.0 1.1 77.0 15.3 78.0 2.1 79.0 1.5 86.0 1.4 87.0 2.3 88.0 1.0 88.5 1.8 89.0 1.3 91.0 19.5 92.0 2.2 93.0 8.0 95.5 1.6 100.0 1.3 103.0 1.1 104.0 14.7 105.0 27.1 106.0 41.7 107.0 3.8 110.5 1.4 117.0 2.7 118.0 5.8 119.0 31.7 120.0 21.5 121.0 3.2 130.0 2.3 131.0 2.4 132.0 16.9 133.0 7.1 134.0 5.8 135.0 1.5 137.0 12.8 138.0 1.4 144.0 4.5 145.0 1.3 146.0 15.7 147.0 7.2 148.0 11.8 149.0 17.0 150.0 25.1 151.0 5.1 158.0 1.1 162.0 26.5 163.0 12.8 164.0 11.9 165.0 1.7 176.0 17.7 177.0 9.2 178.0 4.5 179.0 3.8 181.0 1.0 188.0 2.1 190.0 4.5 192.0 3.4 194.0 1.5 206.0 2.0 207.0 4.2 208.0 8.1 209.0 2.6 220.0 5.8 221.0 1.3 234.0 3.3 236.0 3.1 237.0 1.9 238.0 3.9 239.0 5.7 250.0 1.9 252.0 1.1 264.0 10.0 265.0 4.6 267.0 8.1 268.0 1.3 294.0 2.1 295.0 100.0 296.0 19.0 297.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H25 N O4 0.038 g : 0.5 ml CDCl3 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane 
Assign. Shift(ppm)
A 7.202 B 6.66 C 6.65 D 3.750 E 3.667 F 3.646 G 3.633 J 3.593
Hz ppm Int.2886.84 7.224 74 2879.39 7.205 87 2878.66 7.203 78 2877.81 7.201 78 2870.61 7.183 88 2665.77 6.671 64 2664.67 6.668 107 2661.87 6.661 41 2660.28 6.657 41 2659.18 6.654 94 2658.08 6.652 67 2655.88 6.646 83 2655.03 6.644 93 2652.83 6.638 40 2651.86 6.636 39 1505.74 3.768 106 1499.51 3.753 288 1493.41 3.737 159 1472.17 3.684 59 1470.70 3.680 76 1468.99 3.676 119 1466.92 3.671 108 1465.33 3.667 150 1463.87 3.663 257 1463.26 3.662 262 1458.74 3.651 244 1458.13 3.649 272 1456.79 3.646 168 1455.08 3.641 133 1452.03 3.634 1000 1441.41 3.607 161 1435.30 3.592 262 1428.96 3.576 105
in CDCl3
KBr disc
nujol mull
