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Back ChemicalBook Home>CAS DataBase List>1125-60-6More Spectrum> 5-Aminoisoquinoline(1125-60-6) IR2

1125-60-6

5-Aminoisoquinoline(1125-60-6) IR2

Molecular FormulaC9H8N2

Molecular Weight144.17

InChIInChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2

InChIKey DTVYNUOOZIKEEX-UHFFFAOYSA-N

SmilesC1C2=C(C(N)=CC=C2)C=CN=1

  • 5-Aminoisoquinoline(1125-60-6) IR2
    Mass

    MS-NW-6175          
    5-aminoisoquinoline
    C9H8N2              (Mass of molecular ion:    144)
    

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

          18.0       1.2
          28.0       1.1
          38.0       1.7
          39.0       3.7
          41.0       1.2
          50.0       1.6
          51.0       2.2
          52.0       2.1
          58.5       4.2
          61.0       1.1
          62.0       2.8
          63.0       5.6
          64.0       2.1
          65.0       1.5
          72.0       5.1
          74.0       1.2
          75.0       1.4
          76.0       1.2
          77.0       1.0
          78.0       1.0
          87.0       1.2
          88.0       1.7
          89.0       9.7
          90.0       7.4
          91.0       2.0
         115.0       1.8
         116.0      11.1
         117.0      16.1
         118.0       4.0
         142.0       2.8
         143.0      13.7
         144.0     100.0
         145.0      11.1
         146.0       1.5
    

400 MHz in CDCl3

  • 5-Aminoisoquinoline(1125-60-6) IR2

    1H NMR 399.65 MHz
    C9 H8 N2 0.035 g : 0.5 ml CDCl3
    5-aminoisoquinoline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.172 B 8.767 C 7.570 D 7.38 E 6.929 F 4.32

         Hz     ppm     Int.
    

       3666.38   9.174    572
       3665.53   9.172    571
       3387.33   8.476    493
       3381.35   8.461    514
       3028.56   7.579    301
       3022.58   7.564    294
       2962.16   7.412     55
       2953.98   7.392    524
       2952.39   7.388    352
       2948.73   7.379   1000
       2944.09   7.367     50
       2943.60   7.366     49
       2778.20   6.952     39
       2773.32   6.940    287
       2769.90   6.931    248
       2768.19   6.927    190
       2764.77   6.918    269
       2759.89   6.906     27
       1728.15   4.325    102
    

in CDCl3

  • 5-Aminoisoquinoline(1125-60-6) IR2

KBr disc

  • 5-Aminoisoquinoline(1125-60-6) IR2

nujol mull

  • 5-Aminoisoquinoline(1125-60-6) IR2

  • 5-Aminoisoquinoline(1125-60-6) IR2

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