Ethyl caprylate (106-32-1) 13C NMR
Product NameEthyl caprylate
CAS106-32-1
Molecular FormulaC10H20O2
Molecular Weight172.26
InChIInChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCCC
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MassMS-NW-0440 ethyl octanoate C10H20O2 (Mass of molecular ion: 172)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.4 27.0 9.9 28.0 3.4 29.0 22.7 39.0 4.5 40.0 1.0 41.0 17.7 42.0 5.7 43.0 16.7 44.0 1.4 45.0 9.2 53.0 1.1 55.0 12.5 56.0 3.3 57.0 28.6 58.0 1.3 59.0 1.5 60.0 23.5 61.0 17.3 67.0 1.4 69.0 5.1 70.0 13.8 71.0 1.3 73.0 19.1 74.0 3.1 82.0 1.1 83.0 3.9 84.0 3.9 87.0 3.9 88.0 100.0 89.0 7.2 97.0 2.3 98.0 3.0 101.0 35.4 102.0 3.2 109.0 1.4 115.0 7.2 125.0 1.3 127.0 26.6 128.0 2.6 129.0 6.9 143.0 3.7 145.0 1.7 172.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H20 O2 0.04 ml : 0.5 ml CDCl3 ethyl octanoate 
Assign. Shift(ppm)
A 4.120 B 2.28 C 1.61 D 1.49 to 1.04 E 1.251 F 0.89 J(A,E)=7.1HZ.
Hz ppm Int.380.06 4.244 86 372.81 4.163 296 365.69 4.084 312 358.63 4.005 102 212.75 2.376 51 212.63 2.375 51 211.56 2.363 52 205.00 2.289 138 198.00 2.211 103 197.31 2.204 123 152.38 1.702 35 151.69 1.694 33 150.50 1.681 31 148.06 1.654 30 145.00 1.620 44 144.56 1.615 43 143.94 1.608 43 141.56 1.581 33 141.19 1.577 33 140.81 1.573 33 140.38 1.568 33 139.75 1.561 34 139.13 1.554 34 138.63 1.548 33 138.25 1.544 33 137.50 1.536 33 136.75 1.527 33 119.06 1.330 513 115.00 1.285 385 112.06 1.252 1000 106.13 1.186 46 104.81 1.171 359 85.94 0.960 41 84.19 0.941 69 83.63 0.934 67 83.06 0.928 62 81.75 0.913 57 80.94 0.904 58 78.88 0.881 248 72.88 0.814 48 71.69 0.801 38
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
