Ethyl caprate(110-38-3) MS
Product NameEthyl caprate
CAS110-38-3
Molecular FormulaC12H24O2
Molecular Weight200.32
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKey RGXWDWUGBIJHDO-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCCCCC
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MassMS-NW-0455 ethyl decanoate C12H24O2 (Mass of molecular ion: 200)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.3 27.0 8.7 28.0 2.3 29.0 22.6 39.0 3.8 41.0 19.1 42.0 5.4 43.0 22.1 45.0 8.3 53.0 1.1 54.0 1.2 55.0 13.2 56.0 4.0 57.0 11.4 59.0 1.1 60.0 17.9 61.0 17.5 67.0 1.8 68.0 1.3 69.0 8.8 70.0 14.1 71.0 8.5 73.0 18.7 74.0 2.7 81.0 2.0 83.0 3.9 84.0 3.9 85.0 4.4 87.0 3.0 88.0 100.0 89.0 8.6 95.0 1.6 97.0 2.9 98.0 2.9 101.0 41.1 102.0 3.9 111.0 1.1 115.0 6.3 129.0 2.6 143.0 3.7 155.0 14.4 156.0 1.6 157.0 9.9 158.0 1.2 171.0 1.7 200.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H24 O2 0.04 ml : 0.5 ml CDCl3 ethyl decanoate 
Assign. Shift(ppm)
A 4.119 B 2.28 C 1.61 D 1.49 to 1.06 E 1.251 F 0.88 J(A,E)=7.1HZ.
Hz ppm Int.379.94 4.243 71 372.75 4.163 245 365.63 4.083 257 358.63 4.005 84 212.56 2.374 43 211.44 2.361 42 204.94 2.289 114 197.81 2.209 86 197.13 2.202 101 146.25 1.633 31 145.63 1.627 35 144.94 1.619 36 144.50 1.614 37 144.13 1.610 37 143.81 1.606 37 143.50 1.603 37 143.06 1.598 36 137.75 1.539 30 122.81 1.372 56 119.00 1.329 407 113.56 1.268 657 111.94 1.250 1000 104.75 1.170 299 83.88 0.937 60 83.75 0.936 60 82.38 0.920 52 81.44 0.910 51 81.13 0.906 49 78.63 0.878 202 72.56 0.811 41
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
