13,15-octacosadiyne(24643-46-7) MS
Product Name13,15-octacosadiyne
CAS24643-46-7
Molecular FormulaC28H50
Molecular Weight386.7
InChIInChI=1S/C28H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey WORVNKKFYJQVPK-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCC#CC#CCCCCCCCCCCCC
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MassMS-IW-5284 13,15-octacosadiyne C28H50 (Mass of molecular ion: 386)
Source Temperature: 190 °C Sample Temperature: 200 °C Direct, 75 eV
27.0 7.8 28.0 2.0 29.0 24.5 39.0 6.1 40.0 1.0 41.0 58.5 42.0 6.5 43.0 80.5 44.0 3.0 51.0 2.8 52.0 1.0 53.0 4.8 54.0 5.7 55.0 68.3 56.0 8.6 57.0 58.4 58.0 2.6 63.0 1.7 64.0 1.0 65.0 7.7 66.0 4.6 67.0 84.0 68.0 10.5 69.0 47.7 70.0 6.2 71.0 22.6 72.0 1.3 76.0 3.2 77.0 18.7 78.0 20.3 79.0 65.2 80.0 31.9 81.0 91.2 82.0 30.2 83.0 37.6 84.0 4.0 85.0 12.0 89.0 2.4 90.0 1.3 91.0 83.9 92.0 28.3 93.0 62.3 94.0 37.6 95.0 74.5 96.0 21.0 97.0 23.5 98.0 2.8 99.0 1.5 103.0 6.6 104.0 7.1 105.0 58.7 106.0 20.3 107.0 59.8 108.0 24.4 109.0 36.9 110.0 9.7 111.0 9.7 112.0 1.3 115.0 5.5 116.0 3.2 117.0 19.9 118.0 7.9 119.0 63.8 120.0 26.0 121.0 100.0 122.0 25.1 123.0 21.2 124.0 6.4 125.0 2.9 128.0 2.0 129.0 3.6 130.0 2.1 131.0 14.3 132.0 4.8 133.0 63.7 134.0 31.9 135.0 49.2 136.0 10.3 137.0 11.0 138.0 3.5 143.0 1.4 145.0 7.8 146.0 3.0 147.0 47.6 148.0 28.4 149.0 19.4 150.0 5.6 151.0 5.8 152.0 2.3 159.0 4.0 160.0 1.7 161.0 47.7 162.0 18.1 163.0 9.8 164.0 3.4 165.0 3.2 166.0 2.0 173.0 2.6 174.0 1.0 175.0 26.4 176.0 7.3 177.0 9.3 178.0 4.8 179.0 6.2 180.0 7.2 181.0 1.1 187.0 1.2 189.0 11.9 190.0 3.8 191.0 12.4 192.0 12.9 193.0 5.0 194.0 1.8 203.0 10.5 204.0 4.0 205.0 14.9 206.0 7.9 207.0 2.2 217.0 25.3 218.0 6.6 219.0 5.1 220.0 1.6 231.0 13.8 232.0 7.4 233.0 10.9 234.0 2.7 245.0 6.0 246.0 2.2 247.0 2.0 259.0 8.3 260.0 3.1 261.0 2.1 273.0 26.6 274.0 9.9 275.0 3.1 287.0 12.0 288.0 3.9 289.0 1.4 301.0 11.0 302.0 4.5 303.0 1.6 315.0 6.5 316.0 2.3 317.0 1.2 329.0 4.8 330.0 1.4 343.0 2.8 345.0 1.0 357.0 1.8 358.0 1.0 384.0 1.4 385.0 1.1 386.0 7.6 387.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H50 ca 10 mg : 0.5 ml CDCl3 13,15-octacosadiyne 
Assign. Shift(ppm)
A 2.240 B 1.51 C 1.37 D 1.28 E 1.26 F 0.881
Hz ppm Int.902.47 2.259 66 895.39 2.241 169 888.31 2.223 74 612.06 1.532 40 611.45 1.530 39 604.98 1.514 55 604.37 1.513 57 597.05 1.494 53 554.69 1.388 31 553.83 1.386 30 548.22 1.372 36 547.85 1.371 37 547.24 1.370 37 546.26 1.367 38 545.78 1.366 38 520.02 1.302 45 518.31 1.297 39 502.69 1.258 1000 359.13 0.899 94 352.42 0.882 309 345.34 0.865 117
in CDCl3
