Diethyl methylmalonate(609-08-5) MS

Product NameDiethyl methylmalonate

CAS 609-08-5

Molecular FormulaC8H14O4

Molecular Weight174.19

InChIInChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3

InChIKey UPQZOUHVTJNGFK-UHFFFAOYSA-N

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

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Diethyl methylmalonate(609-08-5) MS
Mass

MS-NW-1304          
diethyl methylmalonate
C8H14O4             (Mass of molecular ion:    174)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.6
      26.0       2.7
      27.0      18.7
      28.0      13.2
      29.0     100.0
      30.0       3.9
      31.0       2.8
      41.0       5.0
      43.0       2.0
      45.0       8.2
      55.0       5.8
      56.0      20.0
      57.0      20.6
      73.0      12.6
      74.0      42.0
      75.0       4.8
     100.0       1.3
     101.0       8.2
     102.0      18.9
     103.0       2.0
     128.0       7.2
     129.0      46.7
     130.0       3.1
     146.0       2.6
     147.0       8.6
     174.0       4.3

90 MHz in CDCl3

Diethyl methylmalonate(609-08-5) MS

¹H NMR	89.56 MHz
C₈ H₁₄ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl methylmalonate

    Assign.     Shift(ppm)

      A             4.190
      B             3.417
      C             1.419
      D             1.275

     Hz     ppm     Int.

    387.06   4.322     91
    379.75   4.241    349
    372.56   4.160    420
    365.50   4.082    151
    317.50   3.546     27
    310.13   3.463     79
    302.81   3.382     85
    295.63   3.301     34
    130.50   1.458    470
    123.19   1.376    417
    121.00   1.352    463
    113.94   1.273   1000
    106.75   1.192    395

in CDCl3