3-Nitrophthalimide(603-62-3) IR2

Product Name3-Nitrophthalimide

CAS 603-62-3

Molecular FormulaC8H4N2O4

Molecular Weight192.13

InChIInChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)

InChIKey BONIIQYTWOPUQI-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)N1

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Mass

MS-NW-6436          
3-nitrophthalimide
C8H4N2O4            (Mass of molecular ion:    192)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       2.7
      18.0      13.6
      28.0       4.9
      30.0      21.3
      37.0       4.1
      38.0       2.7
      39.0       2.0
      43.0       1.1
      44.0       1.5
      49.0       1.9
      50.0       2.0
      51.0       1.2
      52.0       1.0
      53.0       1.0
      61.0       2.0
      62.0       3.6
      63.0       5.0
      64.0       1.4
      65.0       1.1
      70.0       1.4
      73.0       2.9
      74.0      19.4
      75.0     100.0
      76.0       7.8
      77.0       1.2
      78.0       1.4
      89.0       1.9
      90.0       2.5
      91.0       5.4
     102.0       5.4
     103.0      60.8
     104.0       4.9
     105.0       1.7
     106.0       3.2
     118.0       1.0
     119.0       9.9
     120.0       1.0
     146.0       8.2
     148.0       3.1
     149.0       4.9
     162.0      14.2
     163.0       1.9
     176.0       1.3
     192.0      73.8
     193.0       7.4
     194.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₄ N₂ O₄	0.040 g : 0.5 ml DMSO-d₆
3-nitrophthalimide

    Assign.     Shift(ppm)

      A            11.8
      B             8.268
      C             8.127
      D             8.057

     Hz     ppm     Int.

   4713.05  11.793    159
   3309.27   8.281    643
   3308.35   8.279    790
   3305.24   8.271     43
   3304.32   8.269     42
   3301.39   8.261    797
   3300.29   8.258    823
   3253.40   8.141    488
   3252.49   8.139    693
   3249.19   8.131     47
   3245.89   8.122    900
   3244.98   8.120   1000
   3227.21   8.076    870
   3223.55   8.066     35
   3223.00   8.065     35
   3219.70   8.057    748
   3219.33   8.056    964
   3215.12   8.045     36
   3211.82   8.037    525

in DMSO-d6