2,5-PYRIDINEDICARBOXYLIC ACID DIETHYL ESTER(5552-44-3) IR1

Product Name2,5-PYRIDINEDICARBOXYLIC ACID DIETHYL ESTER

CAS 5552-44-3

Molecular FormulaC11H13NO4

Molecular Weight223.23

InChIInChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-9(12-7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3

InChIKey AFWWHZBUQWEDLS-UHFFFAOYSA-N

SmilesC1(C(OCC)=O)=NC=C(C(OCC)=O)C=C1

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Mass

MS-IW-2141          
diethyl 2,5-pyridinedicarboxylate
C11H13NO4           (Mass of molecular ion:    223)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      26.0       1.0
      27.0       3.6
      28.0       1.7
      29.0      15.1
      39.0       1.0
      45.0       1.5
      50.0       3.3
      51.0       3.4
      52.0       1.0
      52.5       1.5
      66.5       1.5
      76.0       1.9
      77.0       6.2
      78.0       7.6
      79.0       1.1
      94.0       1.4
     105.0       3.6
     106.0       3.8
     122.0       3.0
     123.0      11.8
     124.0       1.5
     150.0      12.5
     151.0     100.0
     152.0      10.3
     153.0       1.0
     178.0      14.8
     179.0      14.7
     180.0       1.7
     223.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₃ N O₄	0.049 g : 0.5 ml CDCl₃
diethyl 2,5-pyridinedicarboxylate

    Assign.     Shift(ppm)

      A             9.328
      B             8.455
      C             8.218
      D     *1      4.520
      E     *1      4.461
      F     *2      1.473
      G     *2      1.442
     
     J(A,B)=2.1HZ
     J(A,C)=0.9HZ
     J(B,C)=8.2HZ

     Hz     ppm     Int.

   3729.71   9.333    161
   3728.79   9.331    172
   3727.57   9.328    172
   3726.81   9.326    155
   3384.70   8.470    181
   3382.57   8.464    182
   3376.46   8.449    207
   3374.48   8.444    202
   3288.73   8.230    215
   3287.81   8.227    213
   3280.64   8.209    175
   3279.72   8.207    189
   1817.47   4.548    144
   1810.30   4.530    462
   1803.13   4.512    471
   1795.96   4.494    155
   1793.67   4.489    147
   1786.50   4.471    437
   1779.48   4.453    465
   1772.31   4.435    154
    595.86   1.491    471
    588.68   1.473   1000
    586.09   1.467     52
    583.34   1.460    485
    581.51   1.456    511
    576.32   1.443    988
    569.15   1.425    488

in CDCl3