ETHYL TRANS-4-DECENOATE(76649-16-6) IR1
Product NameETHYL TRANS-4-DECENOATE
CAS76649-16-6
Molecular FormulaC12H22O2
Molecular Weight198.3
InChIInChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey AWNIQMQADACLCJ-CMDGGOBGSA-N
SmilesC(OCC)(=O)CC/C=C/CCCCC
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MassMS-NW-9455 ethyl trans-4-decenoate C12H22O2 (Mass of molecular ion: 198)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.2 27.0 12.6 28.0 2.4 29.0 43.0 30.0 1.0 31.0 1.2 39.0 14.1 40.0 3.1 41.0 56.9 42.0 12.4 43.0 33.9 44.0 1.7 45.0 11.4 51.0 1.4 52.0 1.1 53.0 11.1 54.0 42.0 55.0 84.3 56.0 15.3 57.0 22.8 58.0 3.0 59.0 2.3 60.0 33.3 61.0 38.0 62.0 1.1 65.0 4.1 66.0 3.2 67.0 53.8 68.0 42.4 69.0 96.6 70.0 57.4 71.0 48.1 72.0 3.0 73.0 14.3 74.0 2.4 77.0 2.8 79.0 10.2 80.0 4.4 81.0 46.8 82.0 27.6 83.0 24.6 84.0 54.5 85.0 12.7 86.0 1.9 87.0 4.6 88.0 100.0 89.0 9.0 91.0 2.0 93.0 5.4 94.0 3.4 95.0 24.5 96.0 50.4 97.0 23.2 98.0 7.3 99.0 16.5 100.0 3.3 101.0 23.0 102.0 3.0 105.0 1.8 107.0 6.7 108.0 6.3 109.0 31.9 110.0 97.7 111.0 23.8 112.0 2.2 113.0 8.9 114.0 2.9 115.0 4.8 116.0 1.7 119.0 1.6 123.0 18.6 124.0 13.2 125.0 2.2 127.0 6.3 128.0 5.1 129.0 2.3 130.0 1.3 133.0 3.3 134.0 5.7 135.0 28.3 136.0 3.2 137.0 3.0 141.0 5.8 142.0 3.2 143.0 1.3 151.0 2.5 152.0 53.4 153.0 14.3 154.0 1.4 155.0 4.7 156.0 1.1 169.0 1.8 198.0 7.4 199.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H22 O2 0.05 ml : 0.5 ml CDCl3 ethyl trans-4-decenoate 
Assign. Shift(ppm)
A 5.45 B 5.40 C 4.124 D 2.35 E 2.31 F 1.965 G 1.33 to 1.26 J 1.251 K 0.879
Hz ppm Int.2192.14 5.486 45 2183.23 5.463 59 2176.88 5.447 139 2170.78 5.432 98 2167.24 5.423 85 2161.50 5.409 123 2156.25 5.396 48 2155.52 5.394 49 2146.24 5.371 42 1659.42 4.153 165 1654.79 4.141 34 1652.22 4.135 464 1647.58 4.123 33 1645.14 4.117 461 1637.94 4.099 171 949.71 2.377 57 946.53 2.369 77 944.95 2.365 38 943.48 2.361 54 939.94 2.352 221 934.45 2.339 253 933.72 2.337 248 929.57 2.326 120 928.83 2.325 131 926.88 2.320 67 923.46 2.311 185 918.21 2.298 93 917.24 2.296 118 913.45 2.286 48 910.89 2.280 34 795.78 1.992 55 789.31 1.976 146 782.23 1.958 153 775.76 1.942 68 540.41 1.353 85 533.45 1.335 138 532.84 1.334 139 530.27 1.327 98 529.79 1.326 99 528.56 1.323 101 526.86 1.319 150 522.95 1.309 124 521.12 1.304 137 519.29 1.300 132 517.58 1.296 103 516.36 1.293 117 514.16 1.287 157 512.08 1.282 142 508.79 1.274 220 506.84 1.269 654 504.27 1.262 182 503.30 1.260 173 501.71 1.256 189 499.63 1.251 1000 497.07 1.244 170 494.51 1.238 94 492.55 1.233 579 486.08 1.217 74 358.40 0.897 273 351.56 0.880 623 344.36 0.862 295
in CDCl3
liquid film
