5-HEXYN-1-OL(928-90-5) Raman
Product Name5-HEXYN-1-OL
CAS928-90-5
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2
InChIKey GOQJMMHTSOQIEI-UHFFFAOYSA-N
SmilesC(O)CCCC#C
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MassMS-NW-9673 5-hexyn-1-ol C6H10O (Mass of molecular ion: 98)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 18.0 2.2 26.0 2.4 27.0 20.3 28.0 8.1 29.0 17.7 30.0 1.3 31.0 68.6 32.0 1.2 37.0 2.3 38.0 5.9 39.0 52.7 40.0 46.3 41.0 63.7 42.0 17.8 43.0 23.2 44.0 9.0 45.0 2.7 50.0 6.6 51.0 10.7 52.0 37.3 53.0 23.1 54.0 47.5 55.0 32.0 56.0 7.1 57.0 52.5 58.0 3.3 59.0 3.1 62.0 1.5 63.0 2.9 65.0 19.9 66.0 4.7 67.0 27.3 68.0 6.4 69.0 12.7 70.0 78.9 71.0 4.6 77.0 20.3 78.0 3.7 79.0 100.0 80.0 9.8 81.0 4.2 83.0 18.6 84.0 1.1 85.0 2.2 97.0 19.3 98.0 7.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O 0.05 ml : 0.5 ml CDCl3 5-hexyn-1-ol 
Assign. Shift(ppm)
A 3.63 B 2.79 C 2.22 D 1.984 E 1.8 to 1.47 J(C,D)=2.5HZ
Hz ppm Int.326.25 3.643 367 250.19 2.794 213 249.44 2.786 215 210.75 2.354 41 210.06 2.346 45 207.88 2.322 145 206.44 2.306 156 205.06 2.290 215 203.94 2.278 205 201.38 2.249 457 198.63 2.218 549 196.63 2.196 290 195.38 2.182 280 194.44 2.172 231 192.38 2.149 252 189.38 2.115 92 187.38 2.093 55 186.44 2.082 47 185.63 2.073 44 184.69 2.063 45 184.31 2.058 46 183.81 2.053 46 183.31 2.047 48 181.44 2.026 83 180.19 2.012 689 177.69 1.985 907 174.94 1.954 469 172.06 1.922 57 171.44 1.915 53 170.38 1.903 46 170.06 1.899 45 169.13 1.889 44 167.31 1.869 51 166.56 1.860 52 165.81 1.852 42 165.56 1.849 42 164.94 1.842 43 163.25 1.823 73 161.25 1.801 62 160.75 1.795 62 158.44 1.770 108 156.56 1.749 142 152.19 1.700 380 150.00 1.675 1000 148.25 1.656 575 146.63 1.638 815 143.69 1.605 841 141.44 1.580 390 138.38 1.546 198 138.19 1.543 198 136.50 1.525 150 134.06 1.497 105 132.44 1.479 66 131.94 1.474 63 131.63 1.470 63 130.88 1.462 58 129.88 1.451 60
in CDCl3
liquid film
4880 A,200 M,liquid
