4-Nitrophthalic anhydride(5466-84-2) IR1

Product Name4-Nitrophthalic anhydride

CAS 5466-84-2

Molecular FormulaC8H3NO5

Molecular Weight193.11

InChIInChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H

InChIKey MMVIDXVHQANYAE-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=C([N+]([O-])=O)C=C2)C(=O)O1

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Mass

MS-NW-0194          
4-nitrophthalic anhydride
C8H3NO5             (Mass of molecular ion:    193)

   Source Temperature: 220 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      17.0       2.3
      18.0       9.0
      27.0       2.1
      28.0       3.1
      29.0       1.1
      30.0      18.0
      38.0       7.7
      38.5       1.9
      39.0       6.9
      40.0       9.8
      42.0       1.1
      44.5       2.6
      45.5       6.3
      46.0       1.3
      49.0       3.6
      50.0      13.5
      51.0       8.9
      52.0       1.6
      53.0      14.4
      55.0       1.5
      61.0       4.6
      62.0       7.3
      63.0      17.0
      64.0       9.9
      65.0      44.1
      66.0       2.5
      73.0       9.7
      74.0      52.1
      75.0     100.0
      76.0       9.1
      77.0       1.9
      79.0       1.7
      80.0       1.0
      81.0       7.6
      90.0       1.4
      91.0      13.7
      92.0       7.4
      93.0       5.3
     101.0       1.0
     103.0      70.1
     104.0       6.6
     107.0       1.7
     109.0       7.2
     119.0      10.3
     120.0       6.5
     121.0      35.6
     122.0       2.8
     135.0       1.1
     136.0       2.0
     137.0      12.1
     138.0       1.0
     147.0       7.4
     148.0      10.7
     149.0      87.2
     150.0       7.9
     151.0       1.2
     163.0       2.0
     167.0      57.9
     168.0       5.0
     193.0       8.3
     194.0       4.7
     195.0       1.1
     211.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₃ N O₅	0.051 g : 0.5 ml CDCl₃
4-nitrophthalic anhydride

    Assign.     Shift(ppm)

      A             8.841
      B             8.80
      C             8.29

     Hz     ppm     Int.

    791.81   8.842   1000
    790.38   8.826    371
    784.31   8.758    366
    782.38   8.736    239
    745.94   8.329    390
    744.50   8.313    251
    738.38   8.245    158
    737.00   8.230    273
    736.50   8.224     98

in CDCl3