Product Name3-Methyl-1-butanol
CAS123-51-3
Molecular FormulaC5H12O
Molecular Weight88.15
InChIInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey PHTQWCKDNZKARW-UHFFFAOYSA-N
SmilesC(O)CC(C)C
Mass
MS-NW-1323 3-methyl-1-butanol C5H12O (Mass of molecular ion: 88)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.9 18.0 2.0 19.0 3.0 26.0 1.7 27.0 25.7 28.0 10.0 29.0 32.8 31.0 35.5 38.0 1.5 39.0 18.1 40.0 3.1 41.0 59.9 42.0 87.1 43.0 69.0 44.0 3.0 45.0 17.5 46.0 8.3 47.0 1.6 53.0 2.4 54.0 1.3 55.0 100.0 56.0 11.8 57.0 25.4 58.0 1.2 69.0 5.6 70.0 69.7 71.0 5.3
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C5 H12 O | 0.02 ml : 0.5 ml CDCl3 |
3-methyl-1-butanol |
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Assign. Shift(ppm) |
Hz ppm Int.
335.75 3.749 164 329.00 3.674 299 327.31 3.655 35 322.31 3.599 170 154.69 1.728 37 148.63 1.660 42 143.19 1.599 36 140.63 1.571 253 137.38 1.534 43 136.94 1.530 41 134.38 1.501 184 127.63 1.426 128 121.50 1.357 37 120.19 1.343 31 85.25 0.952 1000 79.19 0.885 805
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
3-Methyl-1-butanol(123-51-3) IR1 Atlas of Related Products
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