3-ETHYL-1-HEPTYN-3-OL(5396-61-2) 1H NMR
Product Name3-ETHYL-1-HEPTYN-3-OL
CAS5396-61-2
Molecular FormulaC9H16O
Molecular Weight140.22
InChIInChI=1S/C9H16O/c1-4-7-8-9(10,5-2)6-3/h2,10H,4,6-8H2,1,3H3
InChIKey TXCLTIFWSNGTIK-UHFFFAOYSA-N
SmilesC#CC(CC)(O)CCCC
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MassMS-NW-2188 3-ethyl-1-heptyn-3-ol C9H16O (Mass of molecular ion: 140)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.9 25.0 1.4 26.0 8.8 27.0 17.1 28.0 1.9 29.0 31.5 31.0 1.2 39.0 13.4 40.0 2.2 41.0 21.6 42.0 1.6 43.0 20.9 45.0 1.4 50.0 1.2 51.0 3.9 52.0 1.3 53.0 5.9 54.0 1.5 55.0 22.3 56.0 1.8 57.0 23.1 58.0 1.4 59.0 1.4 63.0 1.0 65.0 3.3 66.0 1.0 67.0 3.0 68.0 2.0 69.0 15.5 70.0 1.1 71.0 1.1 72.0 6.0 77.0 12.5 78.0 1.7 79.0 7.9 80.0 4.3 81.0 3.1 82.0 3.6 83.0 100.0 84.0 6.3 85.0 8.8 91.0 7.7 93.0 4.0 97.0 1.9 98.0 3.8 107.0 3.2 111.0 53.7 112.0 4.2 114.0 3.0 122.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H16 O 0.04 ml : 0.5 ml CDCl3 3-ethyl-1-heptyn-3-ol 
Assign. Shift(ppm)
A 2.430 B 2.04 C 1.77 to 1.55 D 1.49 E 1.36 F 1.04 G 0.93 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.217.63 2.430 1000 182.88 2.042 254 163.38 1.825 47 161.75 1.807 54 156.69 1.750 62 155.06 1.732 208 154.38 1.724 187 152.06 1.698 43 148.44 1.658 138 147.31 1.645 401 145.13 1.621 129 144.06 1.609 149 142.81 1.595 147 141.94 1.585 193 141.00 1.575 226 140.06 1.564 227 137.44 1.535 171 135.94 1.518 139 133.44 1.490 151 131.69 1.471 112 130.81 1.461 100 128.31 1.433 87 127.44 1.423 71 126.13 1.409 81 124.75 1.393 97 123.31 1.377 88 122.00 1.363 71 120.38 1.345 81 120.00 1.340 79 118.63 1.325 69 118.13 1.320 72 116.81 1.305 53 115.56 1.291 34 114.81 1.282 33 114.00 1.273 33 112.56 1.257 40 112.00 1.251 41 110.38 1.233 30 109.81 1.227 30 100.06 1.118 301 93.19 1.041 683 92.44 1.033 327 89.81 1.003 158 88.94 0.994 137 86.19 0.963 173 85.38 0.954 243 84.25 0.941 190 83.31 0.931 412 80.81 0.903 99 78.69 0.879 78 77.44 0.865 64 76.00 0.849 63 74.13 0.828 39
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
