2,6-BIS(4-AZIDOBENZYLIDENE)CYCLOHEXANONE(20237-98-3) IR1
Product Name2,6-BIS(4-AZIDOBENZYLIDENE)CYCLOHEXANONE
CAS20237-98-3
Molecular FormulaC20H16N6O
Molecular Weight356.38
InChIInChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+
InChIKey UZNOMHUYXSAUPB-UNZYHPAISA-N
SmilesC1(/CCC/C(=C\C2C=CC(N=[N+]=[N-])=CC=2)/C/1=O)=C/C1=CC=C(N=[N+]=[N-])C=C1
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MassMS-NW-7450 2,6-bis(p-azidobenzylidene)cyclohexanone C20H16N6O (Mass of molecular ion: 356)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 3.5 17.0 2.3 18.0 11.3 27.0 2.3 28.0 100.0 29.0 1.8 39.0 4.7 41.0 2.1 50.0 2.3 51.0 4.1 52.0 1.7 53.0 1.2 62.0 1.0 63.0 3.6 64.0 3.4 65.0 2.3 66.0 1.0 75.0 1.8 76.0 2.5 77.0 4.3 78.0 1.6 88.0 1.4 89.0 2.5 90.0 1.3 91.0 2.5 93.0 1.0 94.5 1.1 101.0 2.2 102.0 3.5 103.0 2.3 104.0 1.0 106.0 1.7 108.5 1.4 114.0 1.3 115.0 5.5 116.0 4.3 117.0 1.5 119.0 1.4 127.0 1.6 128.0 3.3 129.0 2.0 130.0 1.8 140.0 2.3 141.0 1.3 142.0 1.6 143.0 1.5 151.0 1.0 152.0 1.5 153.0 1.4 154.0 1.4 155.0 1.8 156.0 1.0 165.0 1.2 166.0 2.0 167.0 1.7 170.0 1.4 178.0 1.6 180.0 1.4 181.0 1.5 182.0 1.1 190.0 1.6 191.0 1.5 192.0 1.3 193.0 1.1 194.0 1.5 202.0 1.1 203.0 1.8 204.0 1.9 205.0 1.2 215.0 2.8 216.0 3.1 217.0 1.9 218.0 2.1 228.0 1.7 229.0 1.8 230.0 2.0 231.0 1.3 232.0 1.1 242.0 1.7 243.0 5.6 244.0 3.8 245.0 1.8 246.0 1.5 255.0 1.4 256.0 1.2 257.0 1.3 270.0 1.0 271.0 9.2 272.0 6.2 273.0 3.2 274.0 5.1 275.0 1.4 276.0 1.6 299.0 1.2 300.0 4.2 301.0 1.5 304.0 1.5 328.0 9.7 329.0 2.5 330.0 1.7 356.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H16 N6 O 0.043 g : 0.5 ml CDCl3 2,6-bis(p-azidobenzylidene)cyclohexanone 
Assign. Shift(ppm)
A 7.739 B 7.460 C 7.048 D 2.895 E 1.799
Hz ppm Int.3093.14 7.740 441 2988.40 7.478 126 2985.96 7.472 714 2979.25 7.455 286 2977.66 7.451 769 2972.66 7.439 45 2823.36 7.065 154 2820.92 7.059 1000 2819.09 7.054 337 2814.21 7.042 314 2812.38 7.038 899 2809.94 7.032 127 1164.67 2.915 234 1162.60 2.910 271 1156.86 2.895 379 1152.22 2.884 286 1150.27 2.879 253 731.45 1.831 61 729.37 1.826 42 729.00 1.825 42 725.10 1.815 132 718.99 1.800 206 712.89 1.784 126 709.11 1.775 42 706.54 1.768 55
KBr disc
nujol mull
