Ethyl nonanoate(123-29-5) IR1
Product NameEthyl nonanoate
CAS123-29-5
Molecular FormulaC11H22O2
Molecular Weight186.29
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
InChIKey BYEVBITUADOIGY-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCCCCCC
-
MassMS-NW-0513 ethyl nonanoate C11H22O2 (Mass of molecular ion: 186)
Source Temperature: 240 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 2.2 27.0 8.0 28.0 2.7 29.0 19.8 39.0 4.9 40.0 1.0 41.0 20.3 42.0 5.3 43.0 18.6 44.0 3.2 45.0 7.9 53.0 1.4 54.0 1.2 55.0 14.5 56.0 4.1 57.0 16.1 59.0 1.2 60.0 21.1 61.0 17.0 67.0 2.0 68.0 1.9 69.0 7.8 70.0 14.0 71.0 9.8 73.0 18.7 74.0 2.7 81.0 2.0 83.0 3.1 84.0 4.3 87.0 3.1 88.0 100.0 89.0 8.0 97.0 2.8 98.0 1.5 101.0 35.6 102.0 3.5 112.0 1.1 115.0 6.4 129.0 2.4 141.0 18.5 142.0 1.9 143.0 6.4 157.0 5.9 159.0 1.0 186.0 2.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C11 H22 O2 0.04 ml : 0.5 ml CDCl3 ethyl nonanoate 
Assign. Shift(ppm)
A 4.120 B 2.28 C 1.62 D 1.52 to 1.07 E 1.251 F 0.88 J(A,E)=7.1HZ.
Hz ppm Int.380.00 4.243 79 372.88 4.164 267 365.69 4.084 281 358.63 4.005 94 212.69 2.375 52 211.50 2.362 49 205.00 2.289 132 197.88 2.210 101 197.25 2.203 111 151.25 1.689 30 150.75 1.684 30 150.44 1.680 30 149.75 1.673 33 149.13 1.666 31 148.94 1.664 31 148.50 1.659 30 148.19 1.655 33 147.81 1.651 33 147.13 1.643 35 146.75 1.639 38 145.19 1.622 44 144.56 1.615 45 144.19 1.610 45 143.63 1.604 44 141.88 1.585 36 141.19 1.577 35 139.94 1.563 35 139.50 1.558 35 139.13 1.554 36 138.50 1.547 36 137.94 1.541 37 137.50 1.536 35 136.75 1.527 35 136.25 1.522 34 131.31 1.467 30 131.00 1.463 30 130.38 1.456 30 128.13 1.431 33 127.75 1.427 35 126.19 1.409 44 123.50 1.379 66 119.13 1.331 473 115.13 1.286 545 114.44 1.278 538 112.06 1.252 1000 104.88 1.172 321 84.06 0.939 68 81.19 0.907 57 81.00 0.905 57 78.75 0.880 229 75.19 0.840 31 72.75 0.813 42
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
