3-Methyl-3-pentanol (77-74-7) IR1
Product Name3-Methyl-3-pentanol
CAS77-74-7
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChIKey FRDAATYAJDYRNW-UHFFFAOYSA-N
SmilesCCC(C)(O)CC
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MassMS-NW-1022 3-methyl-3-pentanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.7 17.0 1.1 18.0 6.3 27.0 10.1 28.0 2.2 29.0 10.9 31.0 6.1 39.0 6.2 41.0 20.3 42.0 2.7 43.0 17.2 45.0 23.9 53.0 2.6 55.0 44.5 56.0 5.3 57.0 2.8 67.0 1.2 69.0 16.9 70.0 1.1 73.0 100.0 74.0 4.4 84.0 6.7 85.0 2.4 87.0 11.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 3-methyl-3-pentanol 
Assign. Shift(ppm)
A 1.53 B 1.49 C 1.131 D 0.90
Hz ppm Int.145.31 1.623 58 143.69 1.605 63 137.38 1.534 885 130.56 1.458 129 129.06 1.442 341 122.81 1.372 125 121.63 1.359 125 101.25 1.131 1000 87.63 0.979 241 86.81 0.970 420 86.00 0.961 272 79.88 0.892 915 79.13 0.884 401 73.00 0.816 150 72.06 0.805 228 70.69 0.790 131
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
