2-UNDECYNOIC ACID ETHYL ESTER(10519-17-2) MS
Product Name2-UNDECYNOIC ACID ETHYL ESTER
CAS10519-17-2
Molecular FormulaC13H22O2
Molecular Weight210.31
InChIInChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-10H2,1-2H3
InChIKey WVNHQHYIPXYFQX-UHFFFAOYSA-N
SmilesC(OCC)(=O)C#CCCCCCCCC
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MassMS-IW-7363 ethyl 2-undecynoate C13H22O2 (Mass of molecular ion: 210)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 18.0 3.1 26.0 5.4 27.0 43.6 28.0 17.3 29.0 79.3 30.0 2.6 31.0 3.1 32.0 1.3 38.0 4.1 39.0 34.4 40.0 6.7 41.0 83.3 42.0 15.4 43.0 74.3 44.0 7.7 45.0 8.2 47.0 8.4 50.0 2.5 51.0 8.6 52.0 7.9 53.0 21.1 54.0 13.5 55.0 99.4 56.0 17.9 57.0 37.6 58.0 2.1 59.0 1.0 60.0 1.1 61.0 2.3 63.0 1.8 64.0 1.0 65.0 9.9 66.0 29.7 67.0 80.7 68.0 22.3 69.0 27.0 70.0 9.1 71.0 5.5 73.0 3.7 77.0 16.0 78.0 4.9 79.0 74.9 80.0 30.0 81.0 100.0 82.0 16.5 83.0 11.8 84.0 27.7 85.0 10.1 86.0 42.5 87.0 2.7 88.0 3.7 89.0 1.3 91.0 11.3 92.0 2.7 93.0 37.6 94.0 22.8 95.0 54.1 96.0 8.6 97.0 28.7 98.0 11.9 99.0 13.1 100.0 3.5 101.0 2.8 102.0 1.1 105.0 4.1 106.0 1.1 107.0 29.4 108.0 15.2 109.0 12.9 110.0 3.6 111.0 20.9 112.0 15.1 113.0 9.7 114.0 44.3 115.0 4.5 117.0 1.4 119.0 1.9 120.0 1.5 121.0 22.2 122.0 21.7 123.0 7.3 124.0 1.5 125.0 39.1 126.0 17.2 127.0 10.0 128.0 3.3 133.0 1.0 135.0 19.1 136.0 7.7 137.0 11.3 138.0 1.7 139.0 24.5 140.0 9.8 141.0 2.4 142.0 2.5 149.0 1.8 151.0 1.0 153.0 19.2 154.0 12.0 155.0 1.6 163.0 4.1 164.0 2.1 165.0 69.4 166.0 8.8 167.0 9.3 168.0 5.9 181.0 4.9 182.0 1.9 211.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H22 O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-undecynoate 
Assign. Shift(ppm)
A 4.213 B 2.325 C 1.579 D 1.40 E 1.305 F 1.28 G 0.885
Hz ppm Int.1694.58 4.241 162 1687.50 4.223 476 1680.30 4.205 471 1673.22 4.187 168 936.77 2.344 230 929.57 2.326 461 922.36 2.308 243 646.24 1.618 39 639.28 1.600 115 636.60 1.593 41 631.59 1.581 149 624.27 1.563 135 616.94 1.544 58 572.39 1.433 30 566.41 1.418 70 566.04 1.417 70 564.82 1.414 69 560.30 1.402 82 558.96 1.399 82 557.50 1.395 84 551.76 1.381 64 545.17 1.365 31 535.89 1.341 31 528.69 1.323 564 521.61 1.306 1000 518.92 1.299 211 514.40 1.288 784 510.99 1.279 419 359.99 0.901 163 353.15 0.884 516 346.07 0.866 197
in CDCl3
liquid film
