2,3-Pyridinedicarboxylic acid dimethyl ester(605-38-9) IR2

Product Name2,3-Pyridinedicarboxylic acid dimethyl ester

CAS 605-38-9

Molecular FormulaC9H9NO4

Molecular Weight195.17

InChIInChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3

InChIKey YLGIBCYHQZTFQL-UHFFFAOYSA-N

SmilesC1(C(OC)=O)=NC=CC=C1C(OC)=O

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Mass

MS-IW-9343          
dimethyl 2,3-pyridinedicarboxylate
C9H9NO4             (Mass of molecular ion:    195)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      19.7
      18.0       1.9
      26.0       6.1
      27.0       2.9
      28.0       9.1
      29.0       3.9
      30.0       1.1
      37.0       1.3
      38.0       4.4
      38.5       1.0
      39.0      11.9
      42.0       5.3
      45.0       1.8
      49.0       2.8
      50.0      22.0
      51.0      18.1
      52.0       4.9
      52.5       2.7
      53.0      12.3
      54.0       1.1
      59.0      10.9
      64.0       2.1
      65.0      10.1
      66.0       4.1
      67.0       2.2
      75.0       3.3
      76.0      12.3
      77.0      23.6
      78.0      92.0
      79.0     100.0
      80.0      17.2
      81.0       1.2
      91.0       1.6
      92.0      10.0
      93.0      14.8
      94.0       1.4
     104.0       1.7
     105.0       9.9
     106.0      30.3
     107.0      91.1
     108.0       9.5
     120.0       1.9
     135.0       1.0
     136.0      88.3
     137.0      69.1
     138.0       5.9
     150.0       1.6
     164.0      74.8
     165.0      56.9
     166.0       5.5
     195.0       2.7
     196.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O₄	0.041 g : 0.5 ml CDCl₃
dimethyl 2,3-pyridinedicarboxylate

    Assign.     Shift(ppm)

      A             8.772
      B             8.186
      C             7.516
      D             4.009
      E             3.944

     Hz     ppm     Int.

   3509.28   8.781    102
   3507.57   8.777    102
   3504.52   8.769    103
   3502.81   8.765    102
   3276.61   8.199    117
   3274.90   8.195    113
   3268.68   8.179    125
   3266.97   8.175    117
   3010.13   7.532    113
   3005.25   7.520    116
   3002.08   7.512    107
   2997.31   7.500    109
   1602.17   4.009   1000
   1576.29   3.945    996

in CDCl3