2-HEXYNE(764-35-2) 13C NMR
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
InChIKey MELUCTCJOARQQG-UHFFFAOYSA-N
SmilesCC#CCCC
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MassMS-NW-5113 2-hexyne C6H10 (Mass of molecular ion: 82)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 3.6 27.0 29.4 28.0 5.0 29.0 9.3 37.0 2.3 38.0 3.6 39.0 35.8 40.0 6.2 41.0 45.5 42.0 12.2 43.0 4.1 49.0 1.1 50.0 8.4 51.0 13.2 52.0 11.8 53.0 60.6 54.0 37.8 55.0 6.7 56.0 1.3 57.0 1.3 62.0 1.5 63.0 2.7 65.0 9.4 66.0 4.0 67.0 100.0 68.0 6.0 74.0 1.3 77.0 4.1 78.0 2.0 79.0 7.2 80.0 2.6 81.0 12.7 82.0 74.1 83.0 5.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 2-hexyne 
Assign. Shift(ppm)
A 2.097 B 1.781 C 1.495 D 0.967
Hz ppm Int.849.37 2.126 40 846.80 2.119 123 844.24 2.113 137 842.16 2.108 104 839.72 2.102 247 837.16 2.095 255 834.59 2.089 112 832.64 2.084 147 830.08 2.078 139 827.51 2.071 51 714.23 1.788 646 711.67 1.781 1000 709.11 1.775 614 615.97 1.542 47 608.52 1.523 158 601.44 1.505 306 594.12 1.487 308 586.91 1.469 188 579.71 1.451 49 393.43 0.985 461 389.04 0.974 31 386.23 0.967 794 378.66 0.948 390
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1H NMR 89.56 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 2-hexyne Assign. Shift(ppm)
A 2.083 B 1.778 C 1.50 D 0.97 J(A,B)=2.5HZ
Hz ppm Int.197.00 2.200 40 195.81 2.187 48 194.38 2.171 53 193.31 2.159 62 191.69 2.141 66 189.06 2.111 138 187.31 2.092 114 186.50 2.083 159 185.13 2.068 95 184.06 2.056 84 182.81 2.042 104 180.50 2.016 104 179.63 2.006 91 178.38 1.992 54 177.13 1.978 52 161.69 1.806 577 159.19 1.778 1000 156.63 1.749 429 154.19 1.722 58 152.13 1.699 54 151.69 1.694 57 149.06 1.665 36 146.44 1.636 45 145.63 1.627 67 144.25 1.611 116 138.13 1.543 102 137.50 1.536 170 136.44 1.524 118 134.69 1.504 34 134.38 1.501 33 134.25 1.499 33 133.56 1.492 39 131.25 1.466 102 130.69 1.460 131 129.63 1.448 157 126.25 1.410 35 124.56 1.391 61 123.25 1.377 115 117.06 1.308 39 116.44 1.301 40 93.94 1.049 194 93.06 1.040 300 90.06 1.006 42 89.44 0.999 45 88.63 0.990 49 86.50 0.966 658 85.81 0.959 300 82.63 0.923 49 81.88 0.915 42 81.19 0.907 41 79.88 0.892 117 78.81 0.880 173 77.38 0.865 88
in CDCl3
liquid film
