DIETHYL DIMETHYLMALONATE(1619-62-1) MS

Product NameDIETHYL DIMETHYLMALONATE

CAS 1619-62-1

Molecular FormulaC9H16O4

Molecular Weight188.22

InChIInChI=1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3

InChIKey UELKSYXXNGHTSE-UHFFFAOYSA-N

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

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DIETHYL DIMETHYLMALONATE(1619-62-1) MS
Mass

MS-NW-6385          
diethyl dimethylmalonate
C9H16O4             (Mass of molecular ion:    188)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       4.0
      18.0       2.5
      26.0       4.4
      27.0      28.6
      28.0       5.9
      29.0     100.0
      30.0       2.4
      31.0       6.3
      39.0      10.2
      40.0       3.8
      41.0      29.9
      42.0      22.3
      43.0      15.0
      44.0       3.4
      45.0       9.6
      55.0       1.3
      59.0      48.8
      60.0       2.5
      69.0      12.9
      70.0      37.4
      71.0      13.0
      73.0      33.6
      74.0       1.5
      85.0       1.2
      86.0       4.8
      87.0      61.0
      88.0      84.2
      89.0       5.6
      99.0       1.8
     114.0       1.4
     115.0      32.7
     116.0      58.3
     117.0       5.0
     142.0       1.2
     143.0      34.2
     144.0       3.9
     161.0       1.8
     188.0       2.9

400 MHz in CDCl3

DIETHYL DIMETHYLMALONATE(1619-62-1) MS

¹H NMR	399.65 MHz
C₉ H₁₆ O₄	0.05 ml : 0.5 ml CDCl₃
diethyl dimethylmalonate

    Assign.     Shift(ppm)

      A             4.183
      B             1.423
      C             1.253

     Hz     ppm     Int.

   1682.74   4.211    184
   1675.66   4.193    463
   1668.46   4.175    467
   1661.38   4.158    194
    570.68   1.428   1000
    563.96   1.412     37
    508.18   1.272    480
    501.10   1.254    752
    493.90   1.236    481

in CDCl3