15,17-Dotriacontadiyne(67471-17-4) MS
Product Name15,17-Dotriacontadiyne
CAS67471-17-4
Molecular FormulaC32H58
Molecular Weight442.8
InChIInChI=1S/C32H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey XCYJFSNOJKTPHD-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCC#CC#CCCCCCCCCCCCCCC
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MassMS-IW-5285 15,17-dotriacontadiyne C32H58 (Mass of molecular ion: 442)
Source Temperature: 160 °C Sample Temperature: 200 °C Direct, 75 eV
27.0 5.7 28.0 1.8 29.0 19.1 39.0 4.7 41.0 47.5 42.0 5.9 43.0 82.3 44.0 2.9 51.0 2.0 53.0 3.8 54.0 5.0 55.0 59.9 56.0 7.9 57.0 59.9 58.0 2.8 63.0 1.1 65.0 5.4 66.0 3.7 67.0 72.4 68.0 9.5 69.0 44.4 70.0 5.9 71.0 26.4 72.0 1.5 76.0 2.2 77.0 13.8 78.0 15.8 79.0 53.5 80.0 28.0 81.0 81.5 82.0 28.2 83.0 39.9 84.0 4.2 85.0 14.2 89.0 1.7 90.0 1.0 91.0 68.5 92.0 23.8 93.0 52.7 94.0 37.8 95.0 68.7 96.0 19.0 97.0 23.3 98.0 2.6 99.0 2.2 103.0 5.1 104.0 6.3 105.0 48.4 106.0 18.8 107.0 54.3 108.0 26.2 109.0 33.4 110.0 7.6 111.0 9.6 112.0 1.4 113.0 1.2 115.0 4.4 116.0 2.5 117.0 17.3 118.0 7.2 119.0 56.0 120.0 26.4 121.0 100.0 122.0 26.7 123.0 20.2 124.0 7.1 125.0 5.0 126.0 1.1 128.0 1.4 129.0 2.9 130.0 1.8 131.0 13.7 132.0 4.9 133.0 58.2 134.0 35.3 135.0 51.3 136.0 11.1 137.0 11.8 138.0 5.0 139.0 2.2 143.0 1.2 145.0 7.7 146.0 3.1 147.0 46.3 148.0 32.8 149.0 20.9 150.0 5.1 151.0 6.7 152.0 2.9 153.0 1.0 159.0 4.6 160.0 1.9 161.0 48.7 162.0 21.6 163.0 10.3 164.0 2.8 165.0 4.2 166.0 1.7 173.0 3.1 174.0 1.2 175.0 29.0 176.0 7.6 177.0 5.2 178.0 2.4 179.0 3.3 180.0 1.8 187.0 1.5 189.0 11.7 190.0 3.0 191.0 4.1 192.0 2.2 193.0 2.2 194.0 1.7 203.0 4.1 204.0 2.2 205.0 7.0 206.0 4.4 207.0 5.4 208.0 7.3 209.0 1.2 217.0 4.5 218.0 2.3 219.0 10.9 220.0 14.2 221.0 5.1 222.0 1.8 231.0 9.7 232.0 4.3 233.0 15.3 234.0 8.9 235.0 2.5 245.0 28.4 246.0 8.1 247.0 5.1 248.0 1.6 259.0 14.0 260.0 8.8 261.0 12.3 262.0 3.1 273.0 5.4 274.0 2.3 275.0 2.1 287.0 9.1 288.0 3.6 289.0 2.3 301.0 31.9 302.0 13.1 303.0 4.2 304.0 1.2 315.0 14.7 316.0 5.5 317.0 1.7 329.0 13.6 330.0 6.1 331.0 1.9 343.0 8.0 344.0 3.5 345.0 1.1 357.0 6.1 358.0 2.1 359.0 1.0 371.0 3.2 372.0 1.1 373.0 1.0 385.0 1.2 399.0 1.5 401.0 1.2 413.0 1.6 414.0 1.1 441.0 1.0 442.0 7.3 443.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C32 H58 ca 10 mg : 0.5 ml CDCl3 15,17-dotriacontadiyne 
Assign. Shift(ppm)
A 2.239 B 1.51 C 1.37 D 1.28 E 1.26 F 0.880
Hz ppm Int.902.22 2.258 44 895.14 2.240 106 888.06 2.223 49 611.69 1.531 30 604.61 1.513 44 604.37 1.513 44 596.68 1.494 38 546.39 1.368 30 545.78 1.366 30 520.14 1.302 33 518.55 1.298 30 502.20 1.257 1000 358.89 0.899 64 352.29 0.882 173 345.21 0.864 73
in CDCl3
