4,4-DIMETHYL-2-PENTANONE(590-50-1) IR1
Product Name4,4-DIMETHYL-2-PENTANONE
CAS590-50-1
Molecular FormulaC7H14O
Molecular Weight114.19
InChIInChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChIKey AZASWMGVGQEVCS-UHFFFAOYSA-N
SmilesCC(=O)CC(C)(C)C
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MassMS-NW-5809 4,4-dimethyl-2-pentanone C7H14O (Mass of molecular ion: 114)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.2 27.0 6.4 29.0 12.6 39.0 6.9 40.0 1.1 41.0 19.9 42.0 1.5 43.0 100.0 44.0 2.4 53.0 1.1 55.0 3.6 56.0 4.6 57.0 48.6 58.0 33.5 59.0 10.5 71.0 2.6 85.0 1.0 86.0 1.1 99.0 2.7 114.0 3.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O 0.04 ml : 0.5 ml CDCl3 4,4-dimethyl-2-pentanone 
Assign. Shift(ppm)
A 2.329 B 2.128 C 1.020
Hz ppm Int.208.63 2.330 123 191.00 2.133 218 190.50 2.128 327 190.00 2.122 151 93.50 1.044 29 91.38 1.021 1000 89.38 0.998 39
in CDCl3
liquid film
4880 A,200 M,liquid
