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645-15-8

双(对硝基苯基)磷酸酯(645-15-8)质谱(MS)

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

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    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

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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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