1-Ethynyl-1-cyclohexanol(78-27-3) IR2
Product Name1-Ethynyl-1-cyclohexanol
CAS78-27-3
Molecular FormulaC8H12O
Molecular Weight124.18
InChIInChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
InChIKey QYLFHLNFIHBCPR-UHFFFAOYSA-N
SmilesC1(C#C)(O)CCCCC1
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MassMS-NW-1410 1-ethynyl-1-cyclohexanol C8H12O (Mass of molecular ion: 124)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 18.0 4.4 26.0 2.8 27.0 20.0 28.0 2.6 29.0 9.4 31.0 2.1 38.0 2.7 39.0 28.8 40.0 11.3 41.0 23.1 42.0 4.3 43.0 9.9 50.0 4.1 51.0 10.5 52.0 3.4 53.0 21.7 54.0 6.5 55.0 17.9 56.0 4.2 57.0 1.7 62.0 1.1 63.0 2.6 64.0 1.5 65.0 4.6 66.0 3.8 67.0 19.4 68.0 80.8 69.0 13.0 70.0 3.4 77.0 6.2 78.0 4.4 79.0 6.6 80.0 3.6 81.0 100.0 82.0 16.4 83.0 6.2 91.0 8.3 93.0 1.8 94.0 1.1 95.0 72.9 96.0 38.6 97.0 5.1 105.0 2.2 106.0 1.6 109.0 25.7 110.0 2.0 123.0 10.6 124.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H12 O 0.044 g : 0.5 ml CDCl3 1-ethynyl-1-cyclohexanol 
Assign. Shift(ppm)
A 2.479 B 2.23 C 2.12 to 1.05
Hz ppm Int.222.06 2.480 1000 199.44 2.227 123 174.06 1.944 98 173.75 1.941 97 173.00 1.932 87 172.56 1.927 83 172.06 1.922 81 157.19 1.756 126 156.56 1.749 122 154.81 1.729 139 154.44 1.725 134 152.94 1.708 110 151.50 1.692 89 146.69 1.638 266 145.88 1.629 262 145.56 1.626 262 144.13 1.610 227 143.38 1.601 242 138.13 1.543 104 137.81 1.539 111 136.50 1.525 115 136.19 1.521 109 135.13 1.509 110 134.44 1.502 104 133.63 1.493 111 132.56 1.481 98 132.00 1.474 84
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
