2-ethyl-4-methylpentan-1-ol (106-67-2) Raman
Product Name2-ethyl-4-methylpentan-1-ol
CAS106-67-2
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3
InChIKey QCHSJPKDWOFACC-UHFFFAOYSA-N
SmilesC(O)C(CC)CC(C)C
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MassMS-NW-4284 2-ethyl-4-methyl-1-pentanol C8H18O (Mass of molecular ion: 130)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 8.0 28.0 4.2 29.0 12.5 31.0 5.8 32.0 1.0 39.0 5.4 41.0 26.4 42.0 5.1 43.0 37.0 44.0 1.2 45.0 1.8 53.0 1.5 55.0 22.4 56.0 30.2 57.0 100.0 58.0 4.6 59.0 1.5 68.0 1.2 69.0 12.1 70.0 11.8 71.0 2.5 82.0 1.0 83.0 14.8 84.0 5.7 97.0 3.2 98.0 4.1 99.0 2.2 112.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 O 0.04 ml : 0.5 ml CDCl3 2-ethyl-4-methyl-1-pentanol 
Assign. Shift(ppm)
A 3.531 B 1.68 C 1.85 to 1.03 D 0.90 E 0.89
Hz ppm Int.318.50 3.557 360 316.00 3.529 141 313.50 3.501 327 150.38 1.680 831 148.63 1.660 86 135.13 1.509 89 134.50 1.502 81 134.13 1.498 86 133.75 1.494 82 133.13 1.487 79 130.75 1.460 81 130.13 1.453 85 128.50 1.435 146 127.25 1.421 174 125.88 1.406 131 125.56 1.402 120 125.13 1.398 118 124.69 1.393 118 123.50 1.379 128 122.94 1.373 124 120.75 1.349 254 119.56 1.335 211 115.94 1.295 333 114.44 1.278 359 110.88 1.239 79 107.88 1.205 273 101.50 1.134 157 100.38 1.121 153 95.56 1.067 95 86.56 0.967 318 82.38 0.920 1000 80.25 0.897 714 78.44 0.876 205 76.44 0.854 757 73.81 0.825 170 72.56 0.811 124
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
