DI-N-OCTYL AZELATE(2064-80-4) MS
Product NameDI-N-OCTYL AZELATE
CAS2064-80-4
Molecular FormulaC25H48O4
Molecular Weight412.65
InChIInChI=1S/C25H48O4/c1-3-5-7-9-14-18-22-28-24(26)20-16-12-11-13-17-21-25(27)29-23-19-15-10-8-6-4-2/h3-23H2,1-2H3
InChIKey XWVQUJDBOICHGH-UHFFFAOYSA-N
SmilesC(OCCCCCCCC)(=O)CCCCCCCC(OCCCCCCCC)=O
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MassMS2015-05123CW dioctyl azelate C25H48O4 (Mass of molecular ion: 412)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
18.0 1.8 27.0 1.8 28.0 4.4 29.0 4.1 39.0 1.7 41.0 11.9 42.0 5.4 43.0 15.6 44.0 2.2 54.0 1.7 55.0 16.7 56.0 9.3 57.0 17.5 60.0 1.1 61.0 1.5 67.0 3.2 68.0 3.2 69.0 12.9 70.0 9.2 71.0 13.2 73.0 2.5 79.0 1.0 81.0 3.2 82.0 3.8 83.0 13.5 84.0 7.5 85.0 1.2 87.0 1.9 95.0 1.5 96.0 1.3 97.0 7.5 98.0 5.9 101.0 2.3 107.0 1.7 110.0 1.9 111.0 8.6 112.0 5.5 113.0 1.0 115.0 2.1 116.0 1.2 123.0 2.1 124.0 4.4 125.0 14.9 126.0 2.0 129.0 17.7 130.0 1.6 135.0 1.3 138.0 1.0 139.0 1.5 143.0 3.9 144.0 2.5 145.0 1.5 151.0 1.6 152.0 23.2 153.0 6.9 154.0 1.3 155.0 1.3 157.0 6.2 170.0 1.3 171.0 100.0 172.0 10.7 173.0 1.4 185.0 3.9 199.0 5.0 227.0 1.0 240.0 1.1 241.0 14.5 242.0 2.6 254.0 2.4 255.0 1.3 256.0 3.0 269.0 4.3 282.0 2.3 283.0 76.4 284.0 14.4 285.0 1.9 297.0 2.5 301.0 6.3 302.0 1.2 311.0 3.4 412.0 1.4
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C25 H48 O4 0.04 ml : 0.5 ml CDCl3 dioctyl azelate 
Assign. Shift(ppm)
A 4.048 B 2.28 C 1.66 to 1.47 D 1.33 to 1.24 E 0.88
Hz ppm Int.369.56 4.127 150 366.44 4.092 31 363.13 4.055 411 356.63 3.983 217 212.63 2.375 78 211.81 2.366 81 204.88 2.288 214 197.38 2.204 163 158.69 1.772 37 158.38 1.769 39 157.38 1.758 39 151.00 1.687 108 149.63 1.671 100 148.75 1.661 101 144.50 1.614 159 141.25 1.578 123 140.63 1.571 121 140.13 1.565 120 139.44 1.557 126 138.94 1.552 128 138.63 1.548 130 137.94 1.541 129 133.50 1.491 94 133.19 1.488 93 131.06 1.464 107 130.31 1.456 110 130.00 1.452 111 126.38 1.412 159 115.81 1.294 983 114.75 1.282 1000 105.13 1.174 69 103.31 1.154 58 102.56 1.146 56 102.06 1.140 54 101.50 1.134 54 100.81 1.126 52 100.44 1.122 49 99.88 1.116 46 97.75 1.092 31 97.56 1.090 31 84.19 0.941 125 83.00 0.927 113 82.31 0.920 106 81.69 0.913 105 81.06 0.906 105 79.00 0.883 422 74.94 0.837 65 72.94 0.815 87 71.69 0.801 69 69.44 0.776 33 69.06 0.772 30
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in CDCl3
liquid film
