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577-59-3

邻硝基苯乙酮(577-59-3)核磁图(13CNMR)

产品名称:邻硝基苯乙酮

CAS:577-59-3

分子式:C8H7NO3

分子量: 165.15

InChI:InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3

InChIKey: SUGXZLKUDLDTKX-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0976          
    2'-nitroacetophenone
    C8H7NO3             (Mass of molecular ion:    165)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       4.4
          18.0       1.4
          27.0       4.4
          28.0       3.2
          30.0      10.4
          37.0       1.7
          38.0       3.0
          39.0       5.8
          42.0       3.8
          43.0      73.3
          44.0       1.7
          50.0      20.7
          51.0      41.6
          52.0       6.8
          61.0       1.1
          62.0       2.2
          63.0       5.3
          64.0       3.0
          65.0       6.0
          74.0       5.9
          75.0       5.4
          76.0      23.7
          77.0      11.4
          78.0      14.8
          79.0       1.4
          89.0       1.9
          91.0       8.6
          92.0       2.9
         104.0       6.8
         123.0      10.4
         135.0       1.6
         150.0     100.0
         151.0       8.1
         152.0       1.0
         165.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 N O3 0.04 ml : 0.5 ml CDCl3
    2'-nitroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.07 B 7.72 C 7.61 D 7.45 E 2.560

         Hz     ppm     Int.
    

        726.50   8.112     40
        726.13   8.108     41
        724.94   8.095     40
        723.94   8.084     37
        718.88   8.027     76
        717.13   8.008     68
        695.13   7.762     55
        693.50   7.744     50
        689.38   7.698     80
        688.63   7.690    109
        686.81   7.669    120
        681.69   7.612     49
        679.69   7.590     72
        674.19   7.528     35
        672.94   7.514     82
        672.50   7.509     88
        670.50   7.487     75
        666.44   7.442     38
        665.38   7.430     38
        663.88   7.413     39
        663.50   7.409     37
        232.06   2.592     30
        229.06   2.558   1000
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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