4-Methyl-2-pentanone(108-10-1) 13C NMR
Product Name4-Methyl-2-pentanone
CAS108-10-1
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChIKey NTIZESTWPVYFNL-UHFFFAOYSA-N
SmilesCC(=O)CC(C)C
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MassMS2014-05101CW 4-methyl-2-pentanone C6H12O (Mass of molecular ion: 100)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
14.0 1.2 15.0 3.0 27.0 7.3 28.0 28.8 29.0 9.0 32.0 7.7 38.0 1.3 39.0 12.6 40.0 2.7 41.0 23.7 42.0 4.5 43.0 100.0 44.0 2.5 45.0 1.0 51.0 1.0 53.0 1.1 55.0 1.9 56.0 1.6 57.0 33.8 58.0 50.9 59.0 3.4 67.0 3.0 69.0 1.0 72.0 1.1 85.0 32.3 86.0 1.9 100.0 34.6 101.0 2.5
in DMSO-d6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 4-methyl-2-pentanone 
Assign. Shift(ppm)
A 2.312 B 2.133 C 2.123 D 0.926
Hz ppm Int.926.51 2.319 303 919.56 2.301 357 872.07 2.183 23 865.48 2.166 60 858.76 2.149 111 855.83 2.142 34 854.98 2.140 41 852.05 2.132 181 851.56 2.131 172 848.63 2.124 826 845.34 2.116 115 842.16 2.108 23 841.67 2.107 21 838.26 2.098 50 379.52 0.950 41 372.68 0.933 1000 365.84 0.916 959 359.62 0.900 30 358.52 0.898 23 358.03 0.896 21
in DMSO-d6
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
