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13795-24-9

4-硝基苯基碳酸苄酯(13795-24-9)红外图谱(IR2)

分子式:C14H11NO5

分子量: 273.24

InChI:InChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2

InChIKey: QIXRWIVDBZJDGD-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1

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    Mass

    MS-NW-7914          
    benzyl p-nitrophenyl carbonate
    C14H11NO5           (Mass of molecular ion:    273)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       1.3
          28.0       1.1
          30.0       2.4
          38.0       1.1
          39.0       3.2
          44.0       2.9
          50.0       1.5
          51.0       2.3
          63.0       2.7
          64.0       1.9
          65.0       7.3
          77.0       2.0
          89.0       1.4
          90.0       1.2
          91.0     100.0
          92.0       8.4
         139.0       1.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C14 H11 N O5 0.040 g : 0.5 ml CDCl3
    benzyl p-nitrophenyl carbonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.253 B 7.42 C 7.36 D 5.297

         Hz     ppm     Int.
    

        747.25   8.344     32
        744.25   8.311    209
        742.00   8.285     75
        737.25   8.232     85
        734.88   8.206    255
        731.75   8.171     36
        672.94   7.514     29
        672.13   7.505     35
        671.75   7.501     36
        671.25   7.495     35
        664.38   7.419   1000
        660.25   7.373     64
        657.44   7.341     97
        655.13   7.315    216
        652.06   7.281     33
        474.44   5.298    544
        472.50   5.276     34
    

in CDCl3

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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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