3-methyl-2-butanone

Methyl Isopropyl Ketone

3-methyl-2-butanone


Structure: 
IUPAC Name: 3-methyl-2-butanone
Analysis: C₅H₁₀O: MW = 86.13



1H NMR




The proton NMR has a septet at  2.8 coupled to a doublet at  1.1, strongly suggesting the presence of an isopropyl group, and a singlet at  2.2 suggesting an isolated methyl group next to a mildly electronegative group (a carbonyl?).



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13C NMR
¹³C NMR Assignments: 
C-13 NMR: q-22.0; q-16.7; d-45.2; s-210.2 
The ¹³C spectrum contains four peaks; quartets at  22 and 17, a doublet at  45, and a weak singlet at  210. The quartets most likely represent relatively simple methyl groups, the doublet most likely represents a carbon bonded to a mildly electronegative group and the singlet at  210 is in the carbonyl region, most likely a ketone or aldehyde.











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MASS SPECTRUM






Mass Spectrum Fragments: 
The mass spectrum consists of a molecular ion at 86, an m-15 peak at 71, which is consistent with loss of a CH₃ group, and a base peak at m-43 (m/e = 43) which suggests the formation of an acylium ion (CH₃-CO). The spectrum is consistent with a molecule which can lose a methyl group, or can undergo fragmentation to form the acylium radical cation.





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IR


3400-3200 cm^-1: no OH peak 3100 cm^-1: no significant peak, suggesting no unsaturated CH 2900 cm^-1: strong peak suggesting saturated CH 2200 cm^-1: no unsymmetrical triple bonds 1710 cm^-1: strong carbonyl, suggesting aldehyde or ketone 1650 cm^-1: no significant peaks, suggesting no carbon-carbon double bonds






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RAMAN





vietnam

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 dalat city
hanoi











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