DIETHYL DIETHYLMALONATE(77-25-8) ¹³C NMR

Product NameDIETHYL DIETHYLMALONATE

CAS 77-25-8

Molecular FormulaC11H20O4

Molecular Weight216.27

InChIInChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3

InChIKey ZKBBUZRGPULIRN-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(CC)(CC)C(OCC)=O

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Mass

MS-NW-9243          
diethyl diethylmalonate
C11H20O4            (Mass of molecular ion:    216)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       1.0
      26.0       1.5
      27.0      17.1
      28.0       4.9
      29.0     100.0
      30.0       2.5
      31.0       2.8
      39.0       6.5
      40.0       1.4
      41.0      30.4
      42.0       3.7
      43.0      28.6
      44.0       2.1
      45.0      35.3
      53.0       3.8
      54.0       1.3
      55.0      23.4
      56.0       2.4
      57.0      24.1
      58.0       1.2
      59.0      10.2
      67.0       2.7
      68.0       3.1
      69.0      49.8
      70.0       5.2
      71.0      10.2
      72.0       1.0
      73.0      39.9
      74.0       2.0
      81.0       1.6
      83.0      16.7
      84.0       2.9
      85.0       2.9
      86.0       6.9
      87.0      21.4
      88.0       2.4
      95.0       2.2
      96.0       3.5
      97.0      25.6
      98.0      13.8
      99.0      26.6
     100.0       2.8
     101.0      53.5
     102.0       4.4
     113.0       8.1
     114.0      23.9
     115.0      71.8
     116.0      15.2
     117.0       1.5
     127.0      11.4
     128.0       1.8
     129.0      50.9
     130.0       5.3
     131.0       1.6
     141.0      13.9
     142.0      36.2
     143.0      63.5
     144.0      21.1
     145.0       2.7
     155.0       1.0
     157.0       6.5
     160.0       1.8
     170.0       4.4
     171.0      37.9
     172.0       4.0
     173.0      36.5
     174.0       4.6
     187.0       3.8
     188.0      60.8
     189.0       6.7
     217.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₂₀ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl diethylmalonate

    Assign.     Shift(ppm)

      A             4.177
      B             1.917
      C             1.246
      D             0.821

     Hz     ppm     Int.

    385.25   4.302    111
    378.00   4.221    434
    370.88   4.142    454
    363.88   4.063    133
    184.56   2.061     47
    183.69   2.052     47
    176.38   1.970    202
    168.81   1.885    253
    161.94   1.809     79
    161.13   1.800     76
    118.50   1.324    450
    115.50   1.290     23
    111.50   1.245   1000
    104.31   1.165    402
     80.38   0.898    259
     73.13   0.817    508
     65.38   0.731    178

in CDCl3