DIMETHYL TETRADECANEDIOATE(5024-21-5) 13C NMR
Product NameDIMETHYL TETRADECANEDIOATE
CAS5024-21-5
Molecular FormulaC16H30O4
Molecular Weight286.41
InChIInChI=1S/C16H30O4/c1-19-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)20-2/h3-14H2,1-2H3
InChIKey ZDJFDFNNEAPGOP-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCCCCCCC(OC)=O
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MassMS-KW-0578 tetradecanedioic acid dimethyl ester C16H30O4 (Mass of molecular ion: 286)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 5.2 27.0 3.5 28.0 2.1 29.0 8.8 31.0 1.2 39.0 3.2 41.0 24.8 42.0 5.3 43.0 27.2 44.0 1.2 45.0 2.7 53.0 1.8 54.0 2.5 55.0 42.6 56.0 4.7 57.0 9.6 58.0 1.1 59.0 17.6 67.0 7.7 68.0 4.2 69.0 25.1 70.0 3.6 71.0 5.5 73.0 4.2 74.0 50.7 75.0 4.3 79.0 2.4 80.0 2.7 81.0 10.5 82.0 4.0 83.0 23.5 84.0 41.2 85.0 6.2 87.0 21.5 88.0 2.6 93.0 3.2 94.0 3.4 95.0 9.0 96.0 7.7 97.0 23.4 98.0 100.0 99.0 8.9 101.0 4.6 107.0 3.6 108.0 2.6 109.0 4.5 110.0 3.6 111.0 10.4 112.0 29.5 113.0 3.4 114.0 1.1 115.0 3.7 116.0 1.2 119.0 1.2 121.0 5.4 122.0 1.4 123.0 3.9 124.0 2.6 125.0 5.4 126.0 8.9 127.0 1.5 128.0 1.1 129.0 2.9 130.0 2.9 135.0 2.3 136.0 1.5 137.0 2.7 138.0 3.8 139.0 6.8 140.0 12.6 141.0 2.2 143.0 2.4 144.0 1.9 149.0 1.0 150.0 1.1 151.0 1.6 152.0 2.3 153.0 1.9 154.0 5.2 156.0 1.8 157.0 2.0 158.0 1.3 162.0 2.2 163.0 12.7 164.0 1.8 165.0 1.0 166.0 1.2 170.0 3.1 171.0 2.6 177.0 2.3 180.0 8.2 181.0 18.6 182.0 2.5 194.0 3.7 195.0 2.3 198.0 3.7 200.0 2.0 212.0 3.2 213.0 26.0 214.0 3.8 222.0 7.1 223.0 1.8 254.0 3.0 255.0 18.5 256.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C16H30O4 0.041 g : 0.5 ml CDCl3 dimethyl tetradecanedioate 
Assign. Shift(ppm)
A 3.666 B 2.301 C 1.613 D 1.26
Hz ppm Int.1465.21 3.666 1000 927.50 2.320 153 920.05 2.302 238 912.36 2.283 170 653.45 1.635 54 646.25 1.617 78 638.80 1.598 58 631.60 1.580 22 512.94 1.284 193 503.18 1.259 285
in CDCl3
KBr disk
Nujol
