3-METHYL-2-BUTANOL(598-75-4) 13C NMR
Product Name3-METHYL-2-BUTANOL
CAS598-75-4
Molecular FormulaC5H12O
Molecular Weight88.15
InChIInChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
InChIKey MXLMTQWGSQIYOW-UHFFFAOYSA-N
SmilesCC(O)C(C)C
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MassMS-NW-1316 3-methyl-2-butanol C5H12O (Mass of molecular ion: 88)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 19.0 2.1 27.0 6.9 28.0 1.4 29.0 3.1 31.0 2.8 39.0 3.8 41.0 6.7 42.0 1.9 43.0 8.2 44.0 11.8 45.0 100.0 46.0 2.4 55.0 11.0 73.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 O 0.04 ml : 0.5 ml CDCl3 3-methyl-2-butanol 
Assign. Shift(ppm)
A 3.55 B 1.77 C 1.62 D 1.142 E *1 0.925 F *1 0.902
Hz ppm Int.324.50 3.624 70 318.88 3.561 78 318.25 3.554 82 312.69 3.492 75 158.50 1.770 655 148.50 1.659 44 147.38 1.646 45 141.75 1.583 58 140.63 1.571 40 135.00 1.508 36 105.25 1.176 1000 103.25 1.153 38 99.00 1.106 928 85.75 0.958 527 83.50 0.933 577 79.06 0.883 417 76.94 0.860 402
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
