2,4-Dimethyl-3-pentanone(565-80-0) MS
Product Name2,4-Dimethyl-3-pentanone
CAS565-80-0
Molecular FormulaC7H14O
Molecular Weight114.19
InChIInChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
SmilesCC(C)C(=O)C(C)C
-
MassMS-NW-4192 2,4-dimethyl-3-pentanone C7H14O (Mass of molecular ion: 114)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 9.3 28.0 1.3 29.0 2.1 39.0 4.7 41.0 12.7 42.0 5.0 43.0 100.0 44.0 3.4 55.0 1.1 57.0 2.2 70.0 6.3 71.0 28.8 72.0 1.5 114.0 5.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O 0.04 ml : 0.5 ml CDCl3 2,4-dimethyl-3-pentanone 
Assign. Shift(ppm)
A 2.77 B 1.081
Hz ppm Int.263.13 2.939 27 256.13 2.860 60 249.38 2.785 72 242.38 2.707 69 235.69 2.632 38 102.63 1.146 27 101.50 1.134 44 100.06 1.118 1000 98.06 1.095 42 94.63 1.057 38 93.25 1.042 873
in CDCl3
liquid film
4880 A,200 M,liquid
