3,5-Pyridinedicarboxylic acid(499-81-0) IR2

Product Name3,5-Pyridinedicarboxylic acid

CAS 499-81-0

Molecular FormulaC7H5NO4

Molecular Weight167.12

InChIInChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)

InChIKey MPFLRYZEEAQMLQ-UHFFFAOYSA-N

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

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Mass

MS-NW-1794          
3,5-pyridinedicarboxylic acid
C7H5NO4             (Mass of molecular ion:    167)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.6
      25.0       1.0
      26.0       2.6
      27.0       3.4
      28.0       9.7
      29.0       2.3
      32.0       1.0
      37.0       3.7
      38.0       7.4
      38.5       3.8
      39.0      13.6
      40.0       1.7
      41.0       1.3
      44.0       3.6
      45.0      17.9
      49.0       7.6
      50.0      31.6
      51.0      26.1
      52.0       7.5
      52.5       1.1
      53.0       6.8
      55.0       1.1
      65.0       8.7
      66.0       7.5
      67.0       4.9
      75.0       3.4
      76.0       9.7
      77.0      11.8
      78.0       9.6
      79.0       1.4
      92.0       1.4
      93.0       4.6
      94.0      17.3
      95.0       1.7
     104.0      11.6
     105.0       3.0
     106.0       1.4
     119.0       1.2
     121.0      17.3
     122.0      31.1
     123.0       3.5
     137.0       3.1
     138.0       1.1
     149.0      60.6
     150.0      28.1
     151.0       2.5
     167.0     100.0
     168.0       8.6
     169.0       1.2

in DMSO-d6