1-Hexyne(693-02-7) MS
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
InChIKey CGHIBGNXEGJPQZ-UHFFFAOYSA-N
SmilesC#CCCCC
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MassMS-NW-1217 1-hexyne C6H10 (Mass of molecular ion: 82)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.4 18.0 2.3 26.0 3.3 27.0 44.1 28.0 4.8 29.0 5.8 37.0 2.4 38.0 5.7 39.0 36.2 40.0 24.6 41.0 64.3 42.0 15.9 43.0 48.9 44.0 1.7 50.0 5.8 51.0 8.0 52.0 4.2 53.0 15.4 54.0 27.0 55.0 3.4 56.0 4.5 63.0 1.5 65.0 4.5 66.0 1.7 67.0 100.0 68.0 6.2 77.0 1.8 79.0 2.8 81.0 10.9 97.0 3.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 0.02 ml : 0.5 ml CDCl3 1-hexyne 
Assign. Shift(ppm)
A 2.18 B 1.931 C 1.52 D 1.41 E 0.92
Hz ppm Int.204.25 2.281 81 202.75 2.264 114 201.56 2.251 116 200.31 2.237 126 199.50 2.228 99 197.56 2.206 399 195.00 2.178 436 193.56 2.162 145 192.63 2.151 118 191.44 2.138 167 190.56 2.128 183 188.63 2.107 205 175.31 1.958 650 172.81 1.930 829 170.06 1.899 426 143.94 1.608 88 143.19 1.599 79 142.50 1.592 88 140.81 1.573 210 137.56 1.536 298 135.38 1.512 253 133.69 1.493 573 131.06 1.464 343 130.06 1.453 464 129.25 1.444 276 128.06 1.430 255 127.56 1.425 260 127.44 1.423 260 126.50 1.413 376 124.50 1.391 194 122.56 1.369 152 119.50 1.335 102 116.38 1.300 91 89.56 1.000 213 88.75 0.991 375 88.13 0.985 301 86.56 0.967 171 85.50 0.955 208 85.38 0.954 208 83.81 0.936 198 82.19 0.918 1000 79.25 0.885 271 77.50 0.866 158 75.94 0.848 153 74.75 0.835 166 73.13 0.817 104
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
