138-60-3

Chelidamic acid(138-60-3) IR2

Product NameChelidamic acid

CAS 138-60-3

Molecular FormulaC7H5NO5

Molecular Weight183.12

InChIInChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)

InChIKey XTLJJHGQACAZMS-UHFFFAOYSA-N

SmilesC1(C(O)=O)NC(C(O)=O)=CC(=O)C=1

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Chelidamic acid(138-60-3) IR2
Mass

MS-NW-9182          
4-oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid
C7H5NO5 H2O         (Mass of molecular ion:    183)

   Source Temperature: 190 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      14.0       1.1
      15.0       1.2
      16.0       2.1
      17.0      16.6
      18.0      82.6
      26.0       2.6
      27.0       4.4
      28.0      12.4
      29.0       3.6
      32.0       1.3
      36.0       2.0
      37.0       6.8
      38.0      11.9
      39.0      22.9
      40.0      10.2
      41.0       7.1
      42.0       9.3
      43.0       2.4
      44.0      28.6
      45.0      12.9
      46.0       1.1
      46.5       1.0
      50.0       3.0
      51.0       3.4
      52.0       5.9
      53.0      30.8
      54.0       6.6
      55.0       6.2
      60.5       1.1
      63.0       1.7
      64.0      10.7
      65.0      12.8
      66.0       5.3
      67.0      15.0
      68.0      19.3
      69.0       9.6
      70.0       1.4
      71.0       4.5
      75.0       1.8
      76.0      10.1
      77.0       1.1
      81.0       1.4
      92.0       7.4
      93.0      71.4
      94.0       9.2
      95.0       7.7
     110.0       5.2
     120.0       1.4
     121.0      67.4
     122.0       4.9
     137.0       1.2
     138.0      10.0
     139.0     100.0
     140.0       7.2
     166.0       1.8
     183.0       2.0
     184.0       2.2