645-15-8

双(对硝基苯基)磷酸酯(645-15-8)核磁图(¹HNMR)

产品名称:双(对硝基苯基)磷酸酯

CAS:645-15-8

分子式:C12H9N2O8P

分子量: 340.18

InChI:InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)

InChIKey: MHSVUSZEHNVFKW-UHFFFAOYSA-N

Smiles:P(O)(OC1=CC=C([N+]([O-])=O)C=C1)(OC1=CC=C([N+]([O-])=O)C=C1)=O

Mass

MS-NW-6255          
bis(p-nitrophenyl) hydrogen phosphate
C12H9N2O8P          (Mass of molecular ion:    340)

   Source Temperature: 230 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      17.0       1.7
      18.0       6.5
      26.0       4.6
      27.0       6.3
      28.0       6.8
      29.0       2.1
      30.0      13.3
      31.0       1.0
      37.0       4.6
      38.0      11.5
      39.0      49.7
      40.0       1.8
      42.0       1.1
      43.0       1.2
      44.0       2.5
      46.0       1.2
      47.0       1.9
      49.0       1.5
      50.0      10.6
      51.0       7.1
      52.0       7.4
      53.0      13.2
      54.0       3.0
      55.0       2.5
      61.0       4.1
      62.0       8.7
      63.0      23.7
      64.0      14.0
      65.0      76.4
      66.0       5.6
      67.0       1.2
      73.0       1.2
      74.0       5.0
      75.0      16.5
      76.0       8.4
      77.0       1.8
      79.0       2.4
      80.0       2.6
      81.0      23.2
      82.0       2.2
      91.0       1.1
      92.0       6.0
      93.0      23.0
      94.0       2.7
      95.0       1.0
     107.0       4.7
     108.0       1.8
     109.0      72.2
     110.0       5.0
     111.0       1.1
     122.0       1.9
     123.0       7.8
     127.0       1.0
     128.0       1.3
     138.0       1.3
     139.0     100.0
     140.0       8.6
     141.0       1.1
     155.0       2.4
     156.0       3.3
     168.0       2.6
     169.0       3.0
     172.0       1.4
     173.0       1.0
     183.0       1.0
     184.0       1.5
     185.0       1.3
     186.0       1.2
     202.0       1.1
     213.0       1.1
     230.0       2.8
     242.0       1.6
     243.0       2.7
     248.0       1.1
     260.0       2.1
     277.0       1.5
     293.0       1.3
     310.0       2.2
     323.0       2.1
     324.0       2.0
     339.0       6.4
     340.0      22.4
     341.0       3.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₉ N₂ O₈ P	0.039 g : 0.5 ml DMSO-d₆
bis(p-nitrophenyl) hydrogen phosphate

    Assign.     Shift(ppm)

      A             8.254
      B             7.461
      C             7.13

     Hz     ppm     Int.

   3306.88   8.275    103
   3303.53   8.267    931
   3301.54   8.262    298
   3296.51   8.249    324
   3294.53   8.244   1000
   3291.17   8.236    115
   2990.11   7.482    104
   2989.35   7.480    120
   2986.76   7.474    772
   2985.99   7.472    790
   2984.62   7.469    286
   2983.70   7.466    238
   2979.74   7.456    255
   2978.82   7.454    304
   2977.45   7.451    766
   2976.68   7.449    711
   2974.09   7.442     90
   2973.33   7.440     78
   2851.26   7.135    155

in DMSO-d6