81-83-4

1,8-Naphthalimide(81-83-4) IR1

Product Name1,8-Naphthalimide

CAS 81-83-4

Molecular FormulaC12H7NO2

Molecular Weight197.19

InChIInChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)

InChIKey XJHABGPPCLHLLV-UHFFFAOYSA-N

SmilesC1(=O)C2=C3C(C=CC=C3C(=O)N1)=CC=C2

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1,8-Naphthalimide(81-83-4) IR1
Mass

MS-NW-8090          
1,8-naphthalenedicarboximide
C12H7NO2            (Mass of molecular ion:    197)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       3.8
      28.0       1.5
      39.0       2.3
      50.0       6.3
      51.0       3.0
      52.0       1.2
      61.0       2.3
      62.0       4.2
      62.5       1.1
      63.0      17.9
      63.5       1.4
      70.5       3.6
      74.0       9.4
      75.0       7.3
      76.0       8.9
      77.0       3.3
      84.5       4.8
      85.0       1.5
      86.0       2.7
      87.0       4.7
      88.0       2.0
      98.0       4.1
      99.0       4.8
     100.0       3.9
     113.0       4.8
     114.0       4.2
     122.0       1.0
     125.0       4.9
     126.0      50.5
     127.0       9.6
     140.0       8.0
     141.0       2.7
     152.0       4.1
     153.0      75.8
     154.0      22.3
     155.0       9.8
     156.0       1.1
     169.0       5.8
     180.0       1.2
     197.0     100.0
     198.0      13.8
     199.0       1.3

400 MHz in DMSO-d6 at 60C

1,8-Naphthalimide(81-83-4) IR1

¹H NMR	399.65 MHz
C₁₂ H₇ N O₂	saturated in DMSO-d₆ at 60 C
1,8-naphthalenedicarboximide

    Assign.     Shift(ppm)

      A            11.5
      B             8.439
      C             8.404
      D             7.840
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   4625.14  11.573     31
   4623.67  11.570     36
   4623.30  11.569     38
   4622.75  11.567     39
   4622.02  11.566     43
   4621.47  11.564     44
   4621.11  11.563     47
   4620.74  11.562     49
   4619.64  11.560     54
   4619.09  11.558     58
   4617.63  11.555     68
   4614.14  11.546    101
   4611.77  11.540    124
   4610.85  11.538    128
   4610.48  11.537    126
   4609.75  11.535    127
   4608.83  11.533    122
   4607.55  11.529    114
   4607.18  11.529    110
   4606.27  11.526    103
   4601.88  11.515     62
   4600.04  11.511     51
   4599.49  11.509     47
   4598.94  11.508     44
   4598.39  11.507     43
   4597.48  11.504     38
   4596.01  11.501     34
   4595.10  11.498     30
   3376.86   8.450    886
   3376.13   8.448    877
   3372.46   8.439    124
   3369.53   8.432    929
   3368.80   8.430    946
   3366.23   8.423    182
   3365.87   8.423    182
   3362.94   8.415    914
   3359.46   8.407    121
   3358.36   8.404    129
   3357.99   8.403    130
   3354.69   8.395    978
   3348.10   8.378     36
   3347.73   8.377     33
   3145.88   7.872     36
   3140.76   7.859    741
   3133.25   7.840   1000
   3125.19   7.820    659

in CDCl3