1-HEXYN-3-OL(105-31-7) 13C NMR
Product Name1-HEXYN-3-OL
CAS105-31-7
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
InChIKey LTFTWJYRQNTCHI-UHFFFAOYSA-N
SmilesC#CC(O)CCC
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MassMS-NW-3132 1-hexyn-3-ol C6H10O (Mass of molecular ion: 98)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.5 18.0 1.3 26.0 3.6 27.0 25.7 28.0 3.4 29.0 8.3 31.0 1.5 37.0 1.2 38.0 3.1 39.0 14.8 40.0 2.3 41.0 30.2 42.0 7.3 43.0 30.0 44.0 2.4 45.0 1.6 50.0 2.8 51.0 4.2 52.0 3.7 53.0 5.1 54.0 2.3 55.0 100.0 56.0 18.4 57.0 4.9 65.0 2.1 67.0 1.7 68.0 1.1 69.0 10.0 70.0 14.3 71.0 3.8 72.0 1.2 77.0 2.3 79.0 9.4 80.0 1.6 81.0 1.0 83.0 32.2 84.0 2.0 97.0 6.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O 0.05 ml : 0.5 ml CDCl3 1-hexyn-3-ol 
Assign. Shift(ppm)
A 4.38 B 2.66 C 2.462 D 1.67 E 1.51 F 0.96 J(A,C)=2.1HZ. J(A,D)=6.3HZ.
Hz ppm Int.399.75 4.464 67 397.63 4.440 75 396.56 4.428 30 395.13 4.412 33 393.50 4.394 166 391.38 4.371 162 387.06 4.322 99 384.94 4.299 99 240.13 2.682 139 237.50 2.652 230 221.56 2.474 1000 220.56 2.463 61 219.44 2.451 991 163.00 1.821 59 161.06 1.799 35 159.56 1.782 48 158.56 1.771 68 158.13 1.766 73 156.25 1.745 136 154.00 1.720 95 151.50 1.692 107 150.06 1.676 191 149.38 1.668 197 148.88 1.663 174 147.25 1.645 193 145.56 1.626 120 145.00 1.620 135 143.88 1.607 240 142.56 1.592 211 141.50 1.580 136 140.81 1.573 77 139.44 1.557 95 137.31 1.534 181 135.31 1.511 135 133.25 1.488 57 132.63 1.481 89 131.94 1.474 88 131.38 1.467 72 129.75 1.449 84 128.69 1.437 90 127.63 1.426 77 126.50 1.413 56 125.50 1.402 75 122.31 1.366 67 121.44 1.356 64 115.38 1.289 38 114.94 1.284 39 94.19 1.052 42 91.88 1.026 290 91.19 1.019 281 88.94 0.994 79 88.31 0.987 71 87.75 0.980 66 85.19 0.952 738 83.25 0.930 229 81.56 0.911 67 78.94 0.882 138 77.75 0.869 148 76.19 0.851 83
in CDCl3
liquid film
