DODECANEDIOIC ACID DIETHYL ESTER(10471-28-0) MS
Product NameDODECANEDIOIC ACID DIETHYL ESTER
CAS10471-28-0
Molecular FormulaC16H30O4
Molecular Weight286.41
InChIInChI=1S/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3
InChIKey AFYNPRWLOKYLDU-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCCCCCCC(OCC)=O
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MassMS-NW-7833 diethyl dodecanedioate C16H30O4 (Mass of molecular ion: 286)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.7 26.0 1.2 27.0 11.6 28.0 6.8 29.0 47.4 30.0 1.4 31.0 2.3 39.0 6.1 40.0 1.8 41.0 40.2 42.0 10.1 43.0 21.6 44.0 1.0 45.0 13.1 53.0 3.4 54.0 5.0 55.0 52.3 56.0 8.5 57.0 10.9 58.0 2.2 59.0 4.6 60.0 21.3 61.0 18.2 67.0 11.8 68.0 5.5 69.0 46.9 70.0 18.4 71.0 8.3 73.0 16.1 74.0 2.8 79.0 4.2 80.0 3.2 81.0 14.2 82.0 4.6 83.0 28.7 84.0 38.0 85.0 5.1 87.0 4.5 88.0 45.9 89.0 5.3 91.0 1.7 92.0 1.2 93.0 5.5 94.0 2.7 95.0 8.5 96.0 7.7 97.0 24.0 98.0 100.0 99.0 8.3 101.0 28.1 102.0 3.2 105.0 1.1 106.0 1.1 107.0 5.3 108.0 3.7 109.0 7.0 110.0 5.3 111.0 21.8 112.0 37.2 113.0 4.1 114.0 1.1 115.0 7.9 116.0 2.1 119.0 1.2 121.0 2.6 122.0 1.6 123.0 4.3 124.0 3.8 125.0 8.9 126.0 4.5 127.0 1.4 128.0 1.3 129.0 7.4 130.0 3.2 133.0 1.8 134.0 4.3 135.0 20.4 136.0 2.7 137.0 2.1 138.0 4.8 139.0 2.5 140.0 1.0 142.0 2.4 143.0 8.7 144.0 3.0 147.0 2.1 148.0 2.5 149.0 10.3 150.0 2.5 151.0 2.8 152.0 13.9 153.0 42.1 154.0 5.3 155.0 1.8 156.0 3.3 157.0 15.4 158.0 3.0 159.0 1.4 165.0 1.9 166.0 10.1 167.0 8.0 168.0 1.5 171.0 2.5 172.0 1.0 175.0 1.1 176.0 2.2 177.0 1.8 184.0 8.1 185.0 2.6 186.0 5.9 193.0 1.5 194.0 11.0 195.0 5.3 196.0 1.3 198.0 7.1 199.0 82.0 200.0 11.7 201.0 1.3 212.0 1.5 213.0 2.4 214.0 6.9 215.0 1.2 240.0 4.8 241.0 85.6 242.0 13.5 243.0 1.9 286.0 2.8 287.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H30 O4 0.05 ml : 0.5 ml CDCl3 diethyl dodecanedioate 
Assign. Shift(ppm)
A 4.124 B 2.284 C 1.614 D 1.35 to 1.24 E 1.256
Hz ppm Int.1658.94 4.151 175 1651.73 4.133 480 1644.65 4.116 483 1637.45 4.098 174 920.41 2.304 256 912.96 2.285 406 905.27 2.266 278 659.42 1.650 36 652.34 1.633 102 645.14 1.615 141 637.82 1.596 101 632.69 1.584 30 630.49 1.578 34 513.55 1.285 510 508.54 1.273 713 501.34 1.255 1000 494.26 1.237 525
in CDCl3
liquid film
