5-Aminoisoquinoline(1125-60-6) Raman

Product Name5-Aminoisoquinoline

CAS 1125-60-6

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

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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

¹H NMR	399.65 MHz
C₉ H₈ N₂	0.035 g : 0.5 ml CDCl₃
5-aminoisoquinoline

    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