Methyl decanoate(110-42-9) IR2
Product NameMethyl decanoate
CAS110-42-9
Molecular FormulaC11H22O2
Molecular Weight186.29
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKey YRHYCMZPEVDGFQ-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCCCC
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MassMS-NW-0722 methyl decanoate C11H22O2 (Mass of molecular ion: 186)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 5.1 27.0 11.7 28.0 3.0 29.0 17.5 39.0 8.5 40.0 1.6 41.0 31.4 42.0 15.4 43.0 36.8 44.0 1.2 45.0 1.2 53.0 1.9 54.0 1.5 55.0 17.1 56.0 16.7 57.0 20.2 59.0 6.0 67.0 1.6 68.0 1.3 69.0 9.7 70.0 4.9 71.0 8.8 73.0 1.7 74.0 100.0 75.0 10.3 78.0 2.8 81.0 1.2 83.0 4.1 84.0 4.0 85.0 3.3 86.0 1.7 87.0 46.5 88.0 4.7 97.0 2.1 98.0 2.7 101.0 5.8 112.0 1.1 115.0 1.5 129.0 3.9 143.0 12.9 144.0 1.3 155.0 8.2 156.0 1.0 157.0 2.2 186.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H22 O2 0.04 ml : 0.5 ml CDCl3 methyl decanoate 
Assign. Shift(ppm)
A 3.662 B 2.29 C 1.61 D 1.27 E 0.88
Hz ppm Int.327.94 3.662 1000 214.00 2.390 37 212.88 2.377 36 206.38 2.305 103 198.75 2.220 87 152.56 1.704 34 152.13 1.699 35 145.50 1.625 34 144.88 1.618 35 143.88 1.607 34 143.69 1.605 34 125.50 1.402 33 125.13 1.398 34 121.88 1.361 56 113.75 1.271 603 83.88 0.937 57 81.81 0.914 47 81.19 0.907 47 78.63 0.878 175 72.63 0.811 37
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
