Dimethyl malate(38115-87-6) ¹³C NMR

Product NameDimethyl malate

CAS 38115-87-6

Molecular FormulaC6H10O5

Molecular Weight162.14

InChIInChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

InChIKey YSEKNCXYRGKTBJ-UHFFFAOYSA-N

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

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Mass

MS-NW-1212          
dimethyl DL-malate
C6H10O5             (Mass of molecular ion:    162)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.7
      15.0      38.7
      18.0       1.6
      26.0       2.8
      27.0       4.3
      28.0       6.7
      29.0      11.6
      30.0       2.0
      31.0      10.3
      32.0       1.8
      33.0      22.0
      41.0       1.3
      42.0      10.7
      43.0      70.4
      44.0      11.3
      45.0       2.1
      53.0       1.1
      54.0       1.6
      55.0       4.0
      57.0       1.1
      58.0       1.0
      59.0      24.0
      61.0      43.3
      69.0       1.3
      71.0      85.3
      72.0       2.8
      74.0       8.6
      85.0       2.9
     101.0       1.2
     102.0       7.3
     103.0     100.0
     104.0       4.5
     113.0       8.9
     114.0       2.4
     130.0       3.6
     131.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O₅	0.04 ml : 0.5 ml CDCl₃
dimethyl DL-malate

    Assign.     Shift(ppm)

      A             4.53
      B             3.814
      C             3.720
      D             3.52
      E     *1      2.87
      F     *1      2.81

     Hz     ppm     Int.

    411.06   4.590     48
    405.88   4.532     58
    405.31   4.526     69
    400.38   4.471     56
    341.63   3.815    928
    339.50   3.791     54
    338.50   3.780     37
    333.19   3.721   1000
    331.56   3.703     41
    314.81   3.516    153
    257.13   2.872    163
    256.81   2.868    163
    252.38   2.818    116
    250.94   2.802    114

in CDCl3