1(2H)-Phthalazinone(119-39-1) MS

Product Name1(2H)-Phthalazinone

CAS 119-39-1

Molecular FormulaC8H6N2O

Molecular Weight146.15

InChIInChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)

InChIKey IJAPPYDYQCXOEF-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C=NN1

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1(2H)-Phthalazinone(119-39-1) MS
Mass

MS-IW-5529          
1(2H)-phthalazinone
C8H6N2O             (Mass of molecular ion:    146)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.3
      38.0       1.4
      39.0       4.3
      50.0       3.6
      51.0       1.7
      52.0       1.0
      59.0       4.4
      61.0       1.1
      62.0       3.5
      63.0      10.0
      64.0       4.3
      73.0       1.6
      74.0       1.6
      75.0       2.1
      76.0       1.9
      89.0      29.8
      90.0      11.6
      91.0       7.6
     117.0       7.2
     118.0      15.3
     119.0       1.4
     145.0       1.8
     146.0     100.0
     147.0      10.2

400 MHz in DMSO-d6

1(2H)-Phthalazinone(119-39-1) MS

¹H NMR	399.65 MHz
C₈ H₆ N₂ O	0.040 g : 0.5 ml DMSO-d₆
1(2H)-phthalazinone

    Assign.     Shift(ppm)

      A            12.73
      B             8.417
      C             8.282
      D             7.97
      E             7.891

     Hz     ppm     Int.

   5090.93  12.739    161
   3364.22   8.418   1000
   3314.58   8.294    356
   3313.85   8.292    351
   3306.89   8.275    394
   3305.97   8.273    374
   3190.94   7.985     66
   3187.83   7.977    753
   3186.91   7.975    819
   3183.07   7.965    980
   3181.97   7.962    552
   3175.19   7.945     51
   3174.09   7.943     52
   3165.30   7.921     59
   3161.09   7.910    275
   3157.06   7.900    292
   3153.21   7.890    306
   3149.55   7.881    213
   3148.63   7.879    198
   3144.79   7.869    152

in DMSO-d6