4,4-DIMETHYL-2-PENTANONE(590-50-1) ¹³C NMR

Product Name4,4-DIMETHYL-2-PENTANONE

CAS 590-50-1

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

Request For Quotation

Mass

MS-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

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