7-TETRADECYNE(35216-11-6) MS
Product Name7-TETRADECYNE
CAS35216-11-6
Molecular FormulaC14H26
Molecular Weight194.36
InChIInChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey AFNWSIIBAYUTTL-UHFFFAOYSA-N
SmilesCCCCCCC#CCCCCCC
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MassMS-NW-2201 7-tetradecyne C14H26 (Mass of molecular ion: 194)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.9 27.0 16.5 29.0 24.7 39.0 13.3 40.0 2.8 41.0 50.0 42.0 9.0 43.0 41.9 44.0 1.3 51.0 2.9 52.0 5.3 53.0 12.7 54.0 72.7 55.0 52.1 56.0 6.6 57.0 7.4 65.0 5.0 66.0 6.0 67.0 100.0 68.0 38.0 69.0 37.5 70.0 5.8 71.0 2.4 77.0 6.0 78.0 1.6 79.0 12.3 80.0 5.0 81.0 90.4 82.0 34.1 83.0 19.3 84.0 2.0 85.0 1.0 91.0 3.3 93.0 4.6 94.0 2.7 95.0 68.1 96.0 37.7 97.0 8.3 107.0 1.5 108.0 1.3 109.0 49.4 110.0 14.7 111.0 2.0 123.0 11.8 124.0 5.4 125.0 1.0 137.0 4.4 138.0 1.6 151.0 3.8 152.0 1.1 165.0 8.2 166.0 1.3 194.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H26 0.04 ml : 0.5 ml CDCl3 7-tetradecyne 
Assign. Shift(ppm)
A 2.19 B 1.60 to 1.28 C 0.95
Hz ppm Int.202.38 2.260 105 200.44 2.239 135 195.69 2.186 427 191.19 2.135 159 190.56 2.128 166 190.19 2.124 164 189.50 2.116 169 187.31 2.092 86 186.81 2.086 80 144.06 1.609 102 143.31 1.601 111 143.00 1.597 112 141.94 1.585 126 134.56 1.503 288 131.81 1.472 426 130.88 1.462 428 128.25 1.433 595 126.19 1.409 651 124.69 1.393 688 123.56 1.380 638 122.38 1.367 625 120.44 1.345 601 119.81 1.338 594 118.44 1.323 668 113.06 1.263 190 112.75 1.259 187 108.44 1.211 65 107.63 1.202 60 89.38 0.998 290 87.94 0.982 255 87.13 0.973 254 86.00 0.961 249 83.88 0.937 1000 79.94 0.893 142 79.13 0.884 133 77.75 0.869 187 74.56 0.833 66 74.13 0.828 65 73.81 0.825 66
in CDCl3
CCl4 solution
liquid film
880A,150M,liquid
