565-80-0

2,4-Dimethyl-3-pentanone(565-80-0) MS

Product Name2,4-Dimethyl-3-pentanone

CAS 565-80-0

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

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2,4-Dimethyl-3-pentanone(565-80-0) MS
Mass

MS-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

2,4-Dimethyl-3-pentanone(565-80-0) MS

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