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MassMS-NW-5794 butyl trans,trans-2,4-hexadienoate C10H16O2 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.7 26.0 2.0 27.0 15.5 28.0 3.5 29.0 25.8 31.0 1.2 38.0 2.9 39.0 32.1 40.0 6.8 41.0 63.3 42.0 3.1 43.0 7.4 50.0 1.3 51.0 3.3 52.0 2.1 53.0 2.3 55.0 6.0 56.0 7.2 57.0 8.8 63.0 1.9 65.0 11.1 66.0 15.9 67.0 92.4 68.0 11.3 69.0 2.8 70.0 1.2 71.0 1.4 81.0 2.4 82.0 1.4 83.0 1.6 84.0 4.7 93.0 1.7 94.0 2.6 95.0 100.0 96.0 7.5 97.0 91.6 98.0 5.6 99.0 1.0 111.0 4.6 112.0 51.2 113.0 16.2 114.0 10.6 123.0 1.1 139.0 1.0 153.0 2.1 168.0 15.8 169.0 2.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 O2 0.05 ml : 0.5 ml CDCl3 butyl trans,trans-2,4-hexadienoate 
Assign. Shift(ppm)
A 7.248 B 6.19 C 6.13 D 5.777 E 4.140 F 1.850 G 1.642 J 1.401 K 0.943
Hz ppm Int.2909.30 7.280 135 2900.27 7.258 61 2899.17 7.255 110 2893.92 7.242 160 2884.64 7.218 69 2883.67 7.216 112 2489.38 6.229 37 2488.77 6.228 40 2488.28 6.227 36 2487.67 6.225 34 2479.13 6.204 34 2478.64 6.203 39 2475.59 6.195 35 2474.37 6.192 90 2473.63 6.190 101 2473.14 6.189 107 2472.53 6.187 109 2465.58 6.170 51 2463.50 6.165 230 2460.21 6.156 97 2459.59 6.155 160 2453.86 6.141 151 2453.25 6.139 149 2447.39 6.124 41 2444.46 6.117 35 2438.84 6.103 51 2438.23 6.101 52 2316.77 5.797 103 2316.16 5.796 175 2315.43 5.794 174 2314.82 5.793 106 2301.39 5.759 99 2300.78 5.757 151 2300.17 5.756 161 1661.25 4.157 322 1654.54 4.140 613 1647.83 4.124 313 746.83 1.869 36 742.43 1.858 430 741.70 1.856 421 736.08 1.842 474 671.39 1.680 62 664.92 1.664 153 664.18 1.662 155 661.62 1.656 67 658.33 1.648 166 657.47 1.646 194 656.37 1.643 116 654.91 1.639 119 651.61 1.631 78 649.66 1.626 168 642.94 1.609 87 579.35 1.450 49 573.73 1.436 38 571.90 1.432 133 566.28 1.417 84 564.21 1.412 182 558.84 1.399 90 556.64 1.393 197 551.51 1.380 53 549.44 1.375 137 541.99 1.357 52 387.33 0.970 55 383.91 0.961 518 376.46 0.942 1000 369.14 0.924 437 365.60 0.915 58
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1H NMR 89.56 MHz C10 H16 O2 0.04 ml : 0.5 ml CDCl3 butyl trans,trans-2,4-hexadienoate Assign. Shift(ppm)
A 7.24 B 6.20 C 6.13 D 5.775 E 4.138 F 1.85 G 1.63 J 1.30 K 0.95 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.662.31 7.396 99 661.88 7.391 96 659.38 7.363 96 657.31 7.340 88 657.00 7.336 97 654.06 7.304 89 652.13 7.282 190 651.63 7.276 132 646.94 7.224 131 646.50 7.219 125 644.38 7.195 113 642.19 7.171 124 641.50 7.163 105 638.38 7.128 114 636.69 7.110 179 636.31 7.105 155 570.81 6.374 78 557.75 6.228 174 555.81 6.207 573 554.63 6.193 280 550.69 6.149 261 549.56 6.137 440 547.63 6.115 494 543.31 6.067 82 524.94 5.862 185 524.50 5.857 276 524.00 5.851 358 523.13 5.842 141 509.19 5.686 294 508.44 5.678 231 377.31 4.213 330 376.31 4.202 152 375.06 4.188 71 372.63 4.161 89 370.81 4.141 928 364.31 4.068 453 168.56 1.883 649 168.19 1.878 586 167.88 1.875 614 167.50 1.871 685 166.63 1.861 212 165.38 1.847 507 164.31 1.835 253 163.44 1.825 748 163.00 1.821 771 162.25 1.812 514 160.94 1.798 112 157.25 1.756 69 156.50 1.748 69 156.19 1.744 70 154.63 1.727 127 152.50 1.703 104 150.56 1.682 87 148.00 1.653 225 146.88 1.641 166 145.75 1.628 177 142.63 1.593 193 141.44 1.580 281 140.31 1.567 196 139.06 1.553 192 136.50 1.525 198 135.81 1.517 214 135.31 1.511 266 134.63 1.504 190 132.44 1.479 64 130.94 1.463 143 130.13 1.453 136 129.25 1.444 224 127.50 1.424 215 126.31 1.411 63 125.25 1.399 70 123.63 1.381 157 122.13 1.364 93 120.75 1.349 200 119.63 1.336 78 119.00 1.329 92 117.31 1.310 82 114.38 1.278 166 112.94 1.262 81 107.81 1.204 80 91.81 1.026 325 90.69 1.013 496 90.00 1.005 461 89.25 0.997 205 87.63 0.979 83 85.81 0.959 74 84.25 0.941 1000 82.75 0.924 357 82.19 0.918 241 81.06 0.906 135 80.19 0.896 88 79.63 0.890 76 78.88 0.881 112 78.13 0.873 173 76.75 0.857 246 75.81 0.847 63 74.88 0.837 109 74.50 0.832 99
in CDCl3
liquid film
4880 A,200 M,liquid
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