7424-91-1

METHYL 3,3-DIMETHOXYPROPIONATE(7424-91-1) ¹³C NMR

Product NameMETHYL 3,3-DIMETHOXYPROPIONATE

CAS 7424-91-1

Molecular FormulaC6H12O4

Molecular Weight148.16

InChIInChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3

InChIKey SMCVPMKCDDNUCQ-UHFFFAOYSA-N

SmilesC(OC)(=O)CC(OC)OC

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METHYL 3,3-DIMETHOXYPROPIONATE(7424-91-1) <sup>13</sup>C NMR
Mass

MS-NW-9345          
methyl 3,3-dimethoxypropionate
C6H12O4             (Mass of molecular ion:    148)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      12.7
      27.0       2.4
      28.0       2.5
      29.0       4.8
      31.0       7.3
      41.0       1.6
      42.0       2.5
      43.0       4.5
      45.0       3.0
      47.0      15.0
      57.0       1.4
      58.0       4.3
      59.0      13.1
      75.0     100.0
      76.0       3.4
      85.0       6.1
      87.0       1.2
     101.0       2.7
     117.0      14.9
     118.0       1.2
     133.0       2.4

400 MHz in CDCl3

METHYL 3,3-DIMETHOXYPROPIONATE(7424-91-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₆ H₁₂ O₄	0.05 ml : 0.5 ml CDCl₃
methyl 3,3-dimethoxypropionate

    Assign.     Shift(ppm)

      A             4.828
      B             3.699
      C             3.361
      D             2.654

     Hz     ppm     Int.

   1935.79   4.844    120
   1929.81   4.829    224
   1923.95   4.815    123
   1478.27   3.699    764
   1413.33   3.537     22
   1343.38   3.362   1000
   1271.12   3.181     21
   1063.84   2.662    387
   1057.98   2.648    379

in CDCl3