2-Decanone(693-54-9) IR1
Product Name2-Decanone
CAS693-54-9
Molecular FormulaC10H20O
Molecular Weight156.27
InChIInChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKey ZAJNGDIORYACQU-UHFFFAOYSA-N
SmilesCC(=O)CCCCCCCC
-
MassMS2014-05071CW 2-decanone C10H20O (Mass of molecular ion: 156)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 1.4 27.0 7.4 28.0 16.7 29.0 8.8 32.0 4.3 39.0 7.2 40.0 1.7 41.0 19.6 42.0 4.3 43.0 64.3 44.0 1.5 53.0 2.2 54.0 1.6 55.0 9.6 56.0 4.5 57.0 14.9 58.0 100.0 59.0 24.1 67.0 2.2 68.0 1.2 69.0 3.0 70.0 2.3 71.0 28.5 72.0 2.0 81.0 2.5 82.0 2.2 83.0 1.0 85.0 5.1 95.0 1.3 96.0 5.4 98.0 6.5 99.0 1.2 100.0 1.4 113.0 2.7 114.0 1.0 127.0 2.0 138.0 1.0 141.0 3.6 156.0 10.6 157.0 1.2
in CDCl3
90 MHz in CDCl3
-
-
1H NMR 89.56 MHz C10 H20 O 0.04 ml : 0.5 ml CDCl3 2-decanone 
Assign. Shift(ppm)
A 2.41 B 2.129 C 1.57 D 1.45 to 1.10 E 0.88
Hz ppm Int.223.44 2.495 49 216.69 2.420 109 209.13 2.336 92 190.50 2.128 1000 141.00 1.575 37 140.50 1.569 38 140.13 1.565 38 138.19 1.543 32 137.38 1.534 31 136.81 1.528 30 135.63 1.515 30 134.88 1.507 30 134.25 1.499 31 133.69 1.493 31 133.00 1.486 33 132.69 1.482 33 132.19 1.476 32 131.75 1.472 31 126.94 1.418 38 126.56 1.414 37 126.00 1.407 37 124.44 1.390 47 122.19 1.365 60 113.75 1.271 568 106.06 1.185 46 103.31 1.154 30 83.88 0.937 62 83.00 0.927 56 81.56 0.911 50 81.13 0.906 49 78.63 0.878 213 74.31 0.830 30 72.63 0.811 43 71.69 0.801 34
in CDCl3
Liquid film
