AZOXYBENZENE-4,4'-DICARBOXYLIC ACID DIETHYL ESTER(6421-04-1) IR1

Product NameAZOXYBENZENE-4,4'-DICARBOXYLIC ACID DIETHYL ESTER

Molecular FormulaC18H18N2O5

Molecular Weight342.35

InChIInChI=1S/C18H18N2O5/c1-3-24-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)25-4-2/h5-12H,3-4H2,1-2H3/b20-19-

InChIKey LOOVRYZFUGHEMF-VXPUYCOJSA-N

SmilesC1(/[N+](/[O-])=N/C2C=CC(C(=O)OCC)=CC=2)C=CC(C(=O)OCC)=CC=1

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Mass

MS-NW-8048          
diethyl 4,4'-azoxydibenzoate
C18H18N2O5          (Mass of molecular ion:    342)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       1.7
      27.0       2.4
      28.0       2.6
      29.0      20.0
      39.0       3.0
      50.0       3.1
      51.0       1.9
      63.0       4.7
      64.0       3.3
      65.0      21.2
      66.0       1.3
      75.0       5.8
      76.0      11.5
      77.0       5.5
      78.0       1.4
      79.0       1.9
      81.0       1.5
      89.0       1.5
      90.0       4.5
      91.0       4.3
      92.0       3.5
      93.0       8.2
     103.0      33.2
     104.0      13.0
     105.0       2.0
     107.0       2.2
     108.0       1.2
     109.0       5.7
     117.0       2.8
     118.0       3.4
     119.0       2.5
     120.0       1.6
     121.0      19.0
     122.0       1.9
     126.0       4.6
     135.0       4.3
     137.0       7.0
     141.0       1.2
     149.0     100.0
     150.0      10.2
     151.0       1.4
     152.0       1.1
     153.0       1.6
     163.0       3.1
     165.0       7.9
     166.0       1.3
     168.0       2.0
     169.0       3.6
     177.0      17.5
     178.0       1.9
     179.0       1.4
     193.0       3.6
     195.0       1.2
     196.0       1.0
     212.0       1.1
     213.0       2.6
     240.0       1.4
     241.0       4.4
     242.0       1.0
     268.0       1.9
     269.0       3.3
     281.0       3.5
     285.0       3.9
     286.0       1.2
     297.0      10.9
     298.0       2.2
     314.0       6.0
     315.0       1.2
     326.0      11.3
     327.0       2.4
     341.0       2.2
     342.0      30.5
     343.0       6.4
     344.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₈ N₂ O₅	0.041 g : 0.5 ml CDCl₃
diethyl 4,4'-azoxydibenzoate

    Assign.     Shift(ppm)

      A             8.372
      B             8.19
      C     *1      8.18
      D     *1      8.158
      E     *2      4.431
      F     *2      4.409
      G     *3      1.433
      J     *3      1.421

     Hz     ppm     Int.

   3353.03   8.390     71
   3350.83   8.385    389
   3348.88   8.380    147
   3346.80   8.375     34
   3343.87   8.367    159
   3341.92   8.363    498
   3339.72   8.357     88
   3280.15   8.208    117
   3278.08   8.203    556
   3276.37   8.199    248
   3270.87   8.185    262
   3268.31   8.178    802
   3263.31   8.166    709
   3260.99   8.160    139
   3256.59   8.149     83
   3255.00   8.145    118
   3254.27   8.143    158
   1781.74   4.459    142
   1774.66   4.441    442
   1772.71   4.436    184
   1767.46   4.423    471
   1765.50   4.418    462
   1760.25   4.405    183
   1758.42   4.400    440
   1751.22   4.382    142
    580.08   1.452    474
    574.95   1.439    534
    573.00   1.434   1000
    567.87   1.421    986
    565.92   1.417    525
    560.67   1.403    453

in CDCl3

KBr disc

nujol mull

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