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MassMS-NW-4602 3-heptyne C7H12 (Mass of molecular ion: 96)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 18.0 1.5 26.0 2.8 27.0 23.3 28.0 1.0 29.0 13.9 37.0 1.8 38.0 4.4 39.0 43.1 40.0 11.5 41.0 83.6 42.0 10.5 43.0 3.1 50.0 6.3 51.0 11.7 52.0 7.3 53.0 48.8 54.0 24.6 55.0 26.5 56.0 5.0 61.0 1.2 62.0 2.6 63.0 5.2 64.0 1.1 65.0 21.3 66.0 11.1 67.0 100.0 68.0 29.2 69.0 2.4 74.0 1.0 77.0 9.2 78.0 1.8 79.0 32.4 80.0 3.5 81.0 92.6 82.0 6.4 91.0 1.7 93.0 1.2 95.0 6.9 96.0 69.6 97.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 0.04 ml : 0.5 ml CDCl3 3-heptyne 
Assign. Shift(ppm)
A 2.16 B 2.12 C 1.492 D 1.14 E 0.97
Hz ppm Int.205.25 2.292 34 204.38 2.283 35 202.94 2.266 37 202.38 2.260 32 200.00 2.234 36 199.13 2.224 51 197.19 2.202 230 195.13 2.179 150 191.50 2.139 113 189.44 2.116 456 187.50 2.094 85 185.19 2.068 77 184.56 2.061 82 182.56 2.039 177 180.31 2.014 64 145.94 1.630 30 144.56 1.615 77 140.31 1.567 31 138.44 1.546 90 137.75 1.539 126 136.75 1.527 72 132.94 1.485 46 132.13 1.476 52 131.56 1.469 74 131.00 1.463 118 130.56 1.458 108 129.88 1.451 95 128.44 1.435 30 124.88 1.395 60 123.50 1.379 92 107.00 1.195 234 106.50 1.190 190 104.00 1.162 39 103.06 1.151 31 102.06 1.140 42 99.81 1.115 1000 97.19 1.086 55 96.56 1.079 61 94.19 1.052 216 93.31 1.042 366 92.63 1.035 310 91.44 1.021 126 89.75 1.003 32 89.00 0.994 37 86.69 0.968 769 85.81 0.959 271 80.06 0.894 98 79.06 0.883 161 77.56 0.867 79
in CDCl3
liquid film
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