Cyclopentadecanone(502-72-7) IR2
Product NameCyclopentadecanone
CAS502-72-7
Molecular FormulaC15H28O
Molecular Weight224.38
InChIInChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
InChIKey OSOIQJGOYGSIMF-UHFFFAOYSA-N
SmilesC1(=O)CCCCCCCCCCCCCC1
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MassMS-NW-6915 cyclopentadecanone C15H28O (Mass of molecular ion: 224)
Source Temperature: 270 °C Sample Temperature: 200 °C Reservoir, 75 eV
15.0 1.1 18.0 1.2 26.0 1.0 27.0 23.2 28.0 11.4 29.0 35.4 30.0 1.1 31.0 1.3 39.0 24.0 40.0 5.9 41.0 100.0 42.0 25.7 43.0 35.4 44.0 1.7 51.0 1.5 52.0 1.2 53.0 10.8 54.0 9.4 55.0 77.2 56.0 17.0 57.0 13.5 58.0 33.6 59.0 13.7 65.0 2.2 66.0 1.8 67.0 15.5 68.0 10.9 69.0 25.1 70.0 10.6 71.0 37.4 72.0 4.3 77.0 1.9 78.0 1.3 79.0 5.9 80.0 7.7 81.0 13.6 82.0 15.1 83.0 17.0 84.0 11.5 85.0 6.9 86.0 1.2 91.0 1.0 93.0 4.1 94.0 7.3 95.0 9.6 96.0 15.0 97.0 13.4 98.0 13.1 99.0 2.5 100.0 2.1 107.0 3.2 108.0 5.4 109.0 5.1 110.0 7.9 111.0 9.9 112.0 3.2 113.0 2.2 114.0 2.0 121.0 5.0 122.0 3.6 123.0 3.0 124.0 5.9 125.0 9.4 126.0 1.7 127.0 2.3 128.0 1.9 135.0 5.7 136.0 2.6 137.0 2.0 138.0 3.0 139.0 2.3 141.0 1.1 142.0 2.1 149.0 3.3 150.0 1.8 153.0 1.1 156.0 1.3 163.0 1.8 164.0 3.1 166.0 5.0 167.0 1.8 177.0 1.3 181.0 1.4 206.0 2.9 209.0 1.3 224.0 10.2 225.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H28 O 0.027 g : 0.5 ml CDCl3 cyclopentadecanone 
Assign. Shift(ppm)
A 2.367 B 1.59 C 1.25
Hz ppm Int.218.31 2.438 56 212.00 2.368 120 205.13 2.291 91 148.94 1.664 35 142.13 1.587 53 139.75 1.561 30 139.44 1.557 29 138.38 1.546 29 135.94 1.518 40 121.13 1.353 22 111.75 1.248 1000 100.69 1.125 29 99.75 1.114 25
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
