Pentadecanedioic acid(1460-18-0) MS
Product NamePentadecanedioic acid
CAS1460-18-0
Molecular FormulaC15H28O4
Molecular Weight272.38
InChIInChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
InChIKey BTZVDPWKGXMQFW-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCCCC(O)=O
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MassMS-IW-7261 pentadecanedioic acid C15H28O4 (Mass of molecular ion: 272)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.8 18.0 10.0 27.0 3.0 28.0 1.5 29.0 6.5 39.0 2.6 41.0 19.1 42.0 4.6 43.0 16.3 45.0 3.5 53.0 1.5 54.0 2.7 55.0 32.2 56.0 6.4 57.0 10.6 58.0 4.9 59.0 3.5 60.0 14.2 61.0 2.0 67.0 6.2 68.0 5.8 69.0 20.7 70.0 5.6 71.0 9.8 73.0 16.1 74.0 1.6 79.0 2.2 80.0 3.8 81.0 7.7 82.0 6.2 83.0 17.7 84.0 62.7 85.0 7.5 87.0 3.7 93.0 2.5 94.0 4.7 95.0 7.4 96.0 7.2 97.0 15.8 98.0 100.0 99.0 9.5 100.0 1.5 101.0 2.9 107.0 2.4 108.0 3.7 109.0 3.8 110.0 4.3 111.0 9.1 112.0 35.1 113.0 4.2 114.0 1.5 115.0 2.7 121.0 4.1 122.0 3.0 123.0 2.9 124.0 2.6 125.0 5.0 126.0 7.7 127.0 1.7 129.0 5.7 130.0 6.8 134.0 1.1 135.0 4.2 136.0 1.5 137.0 2.0 138.0 2.0 139.0 3.0 140.0 2.3 143.0 2.4 149.0 1.6 150.0 1.6 151.0 1.3 152.0 3.5 153.0 2.9 154.0 1.9 157.0 1.1 165.0 1.0 166.0 1.1 167.0 1.4 168.0 1.1 171.0 1.4 177.0 2.8 185.0 3.0 194.0 1.4 195.0 5.4 208.0 3.1 210.0 1.1 213.0 1.0 228.0 6.8 229.0 1.0 236.0 7.0 237.0 1.1 254.0 2.4 255.0 2.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C15 H28 O4 0.040 g : 0.5 ml DMSO-d6 pentadecanedioic acid 
Assign. Shift(ppm)
A 12.0 B 2.179 C 1.48 D 1.24
Hz ppm Int.4779.91 11.961 42 878.65 2.199 146 871.32 2.181 292 863.81 2.162 166 598.77 1.499 55 591.81 1.481 84 584.85 1.464 61 495.47 1.240 1000
in DMSO-d6
