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Isobutyl acetoacetate

Product Name Isobutyl acetoacetate

CAS7779-75-1

MFC8H14O3

MW158.2

¹³CNMR

Mass

MS-IW-6320          
isobutyl acetoacetate
C8H14O3             (Mass of molecular ion:    158)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.8
      27.0       8.0
      28.0       3.7
      29.0      16.5
      31.0       3.5
      33.0       3.0
      39.0       6.5
      40.0       1.3
      41.0      27.7
      42.0      10.3
      43.0     100.0
      44.0       3.8
      55.0       3.5
      56.0      55.4
      57.0      45.4
      58.0      12.7
      59.0       1.5
      60.0      12.0
      61.0       3.1
      69.0       4.6
      70.0       1.0
      71.0       2.4
      73.0       6.9
      74.0       1.1
      84.0       9.6
      85.0      70.2
      86.0       3.4
      87.0       3.0
     102.0       8.9
     103.0      41.1
     104.0       1.9
     115.0       2.2
     116.0       1.6
     158.0       1.8
     159.0       1.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₃	0.04 ml : 0.5 ml CDCl₃
isobutyl acetoacetate

    Assign.     Shift(ppm)

      A             5.01
      B             3.931
      C             3.912
      D             3.47
      E             2.28
      G             1.95
      J             0.94
     
     400MHZ : HSP-45-036

     Hz     ppm     Int.

    355.44   3.969    387
    353.50   3.948     62
    348.88   3.896    418
    346.81   3.873     67
    310.81   3.471    417
    310.44   3.467    423
    204.06   2.279   1000
    182.13   2.034     40
    175.31   1.958    122
    168.63   1.883     46
    161.94   1.809     35
     89.25   0.997     32
     87.38   0.976    985
     85.56   0.956     79
     83.88   0.937     34
     83.56   0.934     34
     80.81   0.903    741

¹H NMR	399.65 MHz
C₈ H₁₄ O₃	0.05 ml : 0.5 ml CDCl₃
isobutyl acetoacetate

    Assign.     Shift(ppm)

      A            12.11
      B             5.010
      C             3.929
      D             3.912
      E             3.480
      F             2.279
      G             1.96
      J             1.95
      K             0.942
      L             0.917
     
     J(B,F)=-0.7HZ

     Hz     ppm     Int.

   2002.56   5.011     29
   2001.83   5.009     27
   1573.95   3.939    433
   1567.36   3.922    446
   1566.07   3.919    103
   1559.30   3.902     56
   1390.97   3.481    555
    910.89   2.280    794
    795.86   1.992     44
    789.26   1.975     87
    782.49   1.958    182
    775.71   1.941     91
    769.12   1.925     48
    379.89   0.951   1000
    373.11   0.934    956
    369.63   0.925    140
    362.85   0.908    100

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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