ETHYL 2-NONYNOATE(10031-92-2) MS
Product NameETHYL 2-NONYNOATE
CAS10031-92-2
Molecular FormulaC11H18O2
Molecular Weight182.26
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
InChIKey BFZNMUGAZYAMTG-UHFFFAOYSA-N
SmilesC(OCC)(=O)C#CCCCCCC
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MassMS-IW-7356 ethyl 2-nonynoate C11H18O2 (Mass of molecular ion: 182)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.4 17.0 1.2 18.0 5.3 26.0 6.8 27.0 47.4 28.0 21.9 29.0 79.0 30.0 2.3 31.0 5.4 32.0 1.9 37.0 1.4 38.0 6.6 39.0 37.5 40.0 8.2 41.0 80.3 42.0 17.7 43.0 84.7 44.0 10.8 45.0 11.0 46.0 1.1 47.0 8.7 50.0 4.2 51.0 11.6 52.0 10.0 53.0 23.4 54.0 8.6 55.0 60.7 56.0 8.9 57.0 5.6 58.0 1.1 59.0 1.0 61.0 1.3 62.0 1.0 63.0 2.7 64.0 1.0 65.0 10.8 66.0 33.2 67.0 100.0 68.0 24.7 69.0 44.4 70.0 8.8 71.0 5.7 73.0 3.0 77.0 13.8 78.0 4.6 79.0 66.0 80.0 12.6 81.0 55.8 82.0 11.5 83.0 8.5 84.0 38.2 85.0 11.1 86.0 30.2 87.0 2.3 88.0 1.5 91.0 9.0 92.0 2.2 93.0 22.2 94.0 19.7 95.0 19.9 96.0 3.5 97.0 21.5 98.0 10.4 99.0 9.4 100.0 2.0 101.0 1.4 105.0 2.2 107.0 29.1 108.0 16.2 109.0 46.1 110.0 4.9 111.0 27.6 112.0 13.1 113.0 6.9 114.0 22.7 115.0 2.4 117.0 1.3 121.0 8.7 123.0 1.4 125.0 34.9 126.0 10.7 127.0 3.5 135.0 11.3 136.0 9.0 137.0 96.5 138.0 10.0 139.0 11.3 140.0 1.6 153.0 16.7 154.0 7.8 155.0 1.8 167.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H18 O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-nonynoate 
Assign. Shift(ppm)
A 4.211 B 2.331 C 1.582 D 1.41 E 1.304 F 1.30 G 0.894
Hz ppm Int.1693.97 4.239 187 1686.77 4.221 501 1679.69 4.203 506 1672.49 4.185 188 938.72 2.349 281 931.64 2.332 533 924.44 2.314 294 646.85 1.619 49 639.77 1.601 139 637.33 1.595 45 632.57 1.583 169 631.96 1.582 175 624.63 1.563 162 617.31 1.545 71 577.76 1.446 55 570.68 1.428 97 568.85 1.424 90 563.84 1.411 107 562.99 1.409 109 561.65 1.406 94 558.11 1.397 65 555.42 1.390 96 548.22 1.372 53 540.41 1.353 39 537.23 1.345 51 531.13 1.329 117 528.44 1.323 584 524.54 1.313 212 521.36 1.305 1000 518.55 1.298 231 516.85 1.294 192 514.04 1.287 612 511.23 1.280 149 507.20 1.270 71 505.25 1.265 45 503.78 1.261 43 502.08 1.257 32 364.50 0.913 256 357.54 0.895 596 350.46 0.877 276
in CDCl3
liquid film
