2-Pentadecanone(2345-28-0) MS
Product Name2-Pentadecanone
CAS2345-28-0
Molecular FormulaC15H30O
Molecular Weight226.4
InChIInChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
InChIKey CJPNOLIZCWDHJK-UHFFFAOYSA-N
SmilesCC(=O)CCCCCCCCCCCCC
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MassMS-IW-0215 2-pentadecanone C15H30O (Mass of molecular ion: 226)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.7 27.0 3.2 29.0 8.7 39.0 2.4 41.0 18.3 42.0 3.9 43.0 62.4 44.0 1.7 53.0 1.1 54.0 1.9 55.0 14.1 56.0 8.0 57.0 20.6 58.0 100.0 59.0 63.1 60.0 2.3 67.0 4.0 68.0 3.3 69.0 9.4 70.0 5.1 71.0 39.9 72.0 4.0 81.0 4.8 82.0 9.8 83.0 7.1 84.0 3.4 85.0 14.2 86.0 1.6 95.0 4.6 96.0 11.5 97.0 6.5 98.0 2.1 99.0 1.6 100.0 2.4 109.0 2.4 110.0 3.9 111.0 4.0 112.0 1.4 113.0 2.3 114.0 2.5 123.0 1.2 124.0 2.2 125.0 2.4 126.0 1.0 127.0 3.3 128.0 1.2 138.0 1.7 139.0 1.0 140.0 1.1 166.0 2.8 168.0 3.7 169.0 1.1 183.0 1.3 208.0 1.0 211.0 2.0 226.0 4.5 227.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H30 O 0.031 g : 0.5 ml CDCl3 2-pentadecanone 
Assign. Shift(ppm)
A 2.415 B 2.132 C 1.57 D 1.31 to 1.27 E 1.26 F 0.879
Hz ppm Int.973.02 2.435 89 965.45 2.416 151 958.01 2.398 98 852.42 2.133 708 632.81 1.584 35 625.61 1.566 50 618.41 1.548 34 524.90 1.314 34 519.65 1.301 59 519.41 1.300 59 508.42 1.273 303 501.83 1.256 1000 358.64 0.898 98 351.93 0.881 307 344.85 0.863 121
in CDCl3
KBr disc
nujol mull
