3-ETHYL-2-METHYL-3-PENTANOL(597-05-7) 1H NMR
Product Name3-ETHYL-2-METHYL-3-PENTANOL
CAS597-05-7
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-5-8(9,6-2)7(3)4/h7,9H,5-6H2,1-4H3
InChIKey DMHIJUVUPKCGLJ-UHFFFAOYSA-N
SmilesCC(C)C(CC)(O)CC
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MassMS-IW-9213 3-ethyl-2-methyl-3-pentanol C8H18O (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.0 18.0 5.6 27.0 11.3 28.0 2.2 29.0 15.4 31.0 4.7 39.0 8.8 40.0 1.4 41.0 30.3 42.0 3.2 43.0 21.7 45.0 100.0 46.0 2.3 51.0 1.0 53.0 3.9 55.0 55.8 56.0 5.1 57.0 24.5 58.0 1.6 59.0 20.2 67.0 3.3 68.0 1.0 69.0 20.2 70.0 5.2 71.0 4.1 73.0 1.2 81.0 1.1 83.0 22.5 84.0 4.2 85.0 1.4 86.0 1.5 87.0 58.9 88.0 3.4 97.0 6.2 101.0 49.7 102.0 3.4 112.0 9.0 113.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H18 O 0.05 ml : 0.5 ml CDCl3 3-ethyl-2-methyl-3-pentanol 
Assign. Shift(ppm)
A 1.779 B *1 1.525 C *1 1.457 D 1.18 E 0.890 F 0.858
Hz ppm Int.718.26 1.798 73 711.30 1.780 100 704.47 1.763 79 697.51 1.746 34 622.92 1.559 73 616.33 1.543 77 615.36 1.540 88 608.76 1.524 178 601.20 1.505 183 598.02 1.497 63 593.63 1.486 73 590.45 1.478 176 583.01 1.459 190 576.05 1.442 99 568.85 1.424 77 561.40 1.405 30 471.56 1.180 81 359.38 0.900 931 352.54 0.883 925 350.59 0.878 636 343.02 0.859 1000 335.57 0.840 534
in CDCl3
liquid film
