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Back ChemicalBook Home>CAS DataBase List>6622-91-9More Spectrum> 4-Pyridineacetic acid hydrochloride(6622-91-9) MS

4-Pyridineacetic acid hydrochloride(6622-91-9) MS

Molecular FormulaC7H8ClNO2

Molecular Weight173.6

InChIInChI=1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H

InChIKey WKJRYVOTVRPAFN-UHFFFAOYSA-N

SmilesC1(CC(=O)O)C=CN=CC=1.Cl


  • Mass

    MS-KW-0590          
    4-pyridylacetic acid hydrochloride 
    C7H7NO2 HCl         (Mass of molecular ion:    137)
    

       Source Temperature: 130 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.9
          26.0       1.9
          27.0       2.2
          28.0       5.0
          35.0       3.3
          36.0      44.1
          37.0       2.8
          38.0      17.1
          39.0      19.4
          40.0       8.4
          41.0       3.3
          44.0      49.7
          45.0       2.8
          45.5       1.4
          46.0       1.8
          50.0       3.6
          51.0       6.7
          52.0       4.9
          53.0       5.1
          54.0       7.4
          61.0       1.0
          62.0       1.9
          63.0       5.6
          64.0       4.0
          65.0      27.9
          66.0      37.8
          67.0       9.5
          78.0       3.6
          80.0       1.0
          91.0       2.2
          92.0      35.9
          93.0     100.0
          94.0       7.3
         137.0      28.6
         138.0       2.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7H8ClNO2 0.040 g : 0.5 ml DMSO-d6
    4-pyridylacetic acid hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.922 B 8.059 C 4.100

         Hz     ppm     Int.
    

       3570.07   8.931    475
       3563.36   8.914    476
       3224.98   8.067    496
       3218.27   8.051    459
       1638.80   4.100   1000
    

in DMSO-d6









4-Pyridineacetic acid hydrochloride(6622-91-9) MS Atlas of Related Products

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