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Back ChemicalBook Home>CAS DataBase List>138-60-3More Spectrum> Chelidamic acid(138-60-3) IR2

138-60-3

Chelidamic acid(138-60-3) IR2

Product NameChelidamic acid

CAS138-60-3

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

  • 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
    

  • Chelidamic acid(138-60-3) IR2

in DMSO-d6

  • Chelidamic acid(138-60-3) IR2

KBr disc

  • Chelidamic acid(138-60-3) IR2

nujol mull

  • Chelidamic acid(138-60-3) IR2

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