5070-13-3

BIS(4-NITROPHENYL) CARBONATE(5070-13-3) MS

Product NameBIS(4-NITROPHENYL) CARBONATE

CAS 5070-13-3

Molecular FormulaC13H8N2O7

Molecular Weight304.21

InChIInChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H

InChIKey ACBQROXDOHKANW-UHFFFAOYSA-N

SmilesC(OC1=CC=C([N+]([O-])=O)C=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1

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BIS(4-NITROPHENYL) CARBONATE(5070-13-3) MS
Mass

MS-NW-6165          
bis(p-nitrophenyl) carbonate
C13H8N2O7           (Mass of molecular ion:    304)

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

      17.0       2.0
      18.0       9.5
      26.0       2.3
      27.0       4.3
      28.0      18.2
      29.0       1.2
      30.0      14.3
      37.0       1.4
      38.0       7.8
      39.0       8.8
      44.0       5.0
      50.0      16.6
      51.0       4.6
      52.0       3.8
      53.0       3.7
      54.0       1.9
      61.0       1.2
      62.0       4.1
      63.0      18.8
      64.0      22.4
      65.0       9.6
      66.0       1.2
      68.0       2.0
      74.0       4.1
      75.0      31.0
      76.0      31.4
      77.0       3.9
      79.0       1.9
      80.0       1.8
      81.0       2.6
      82.0       1.1
      92.0      28.4
      93.0       5.8
      94.0       1.0
     106.0       2.3
     107.0       2.6
     109.0       6.5
     122.0     100.0
     123.0      14.7
     124.0       1.3
     127.0       1.2
     128.0       7.1
     129.0       1.0
     139.0      19.2
     140.0       5.5
     155.0       1.3
     156.0       3.2
     166.0      46.0
     167.0       7.5
     168.0      13.2
     169.0       2.1
     183.0       1.0
     184.0       2.8
     214.0       1.3
     230.0       8.6
     231.0       1.2
     260.0       1.1
     288.0       1.7
     304.0      51.5
     305.0       7.7
     306.0       1.4

90 MHz in CDCl3

BIS(4-NITROPHENYL) CARBONATE(5070-13-3) MS

¹H NMR	89.56 MHz
C₁₃ H₈ N₂ O₇	0.041 g : 0.5 ml CDCl₃
bis(p-nitrophenyl) carbonate

    Assign.     Shift(ppm)

      A             8.331
      B             7.508

     Hz     ppm     Int.

    754.44   8.424     75
    753.31   8.412     26
    751.38   8.390    778
    749.06   8.364    229
    745.69   8.327     26
    744.25   8.311    236
    741.94   8.285    968
    738.88   8.251    110
    679.81   7.591    105
    678.63   7.578     32
    676.69   7.556   1000
    674.38   7.530    254
    672.00   7.504     29
    669.63   7.477    215
    667.31   7.451    786
    664.25   7.417     75

in CDCl3