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网站主页CAS数据库列表 49678-08-2更多图谱對硝桂皮醛(49678-08-2)核磁图(13CNMR)

對硝桂皮醛

产品名称 對硝桂皮醛

CAS号49678-08-2

分子式C9H7NO3

分子量177.16

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  • Mass

    MS-IW-2154          
    trans-4-nitrocinnamaldehyde
    C9H7NO3             (Mass of molecular ion:    177)
    

       Source Temperature: 120 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          27.0       3.1
          28.0       3.1
          29.0       3.1
          30.0       3.9
          37.0       1.2
          38.0       2.2
          39.0       6.1
          49.0       1.0
          50.0      14.5
          51.0      24.3
          52.0       5.7
          53.0       2.8
          54.0       2.2
          55.0       2.1
          61.0       1.9
          62.0       4.2
          63.0      11.1
          64.0       2.4
          65.0       5.6
          73.0       1.1
          74.0       9.1
          75.0      11.2
          76.0      15.4
          77.0      60.3
          78.0       4.4
          87.0       1.4
          89.0       4.2
          90.0       6.8
          91.0       9.5
          92.0       2.6
          98.0       1.8
         101.0       4.9
         102.0      39.4
         103.0      42.9
         104.0       4.3
         118.0       5.4
         119.0       3.5
         129.0       2.4
         130.0      76.7
         131.0      28.3
         132.0       2.8
         146.0       1.7
         147.0       1.8
         148.0       1.3
         149.0       1.3
         160.0     100.0
         161.0      11.3
         162.0       1.0
         176.0      19.1
         177.0      74.0
         178.0       7.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H7 N O3 0.031 g : 0.5 ml CDCl3
    trans-4-nitrocinnamaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.795 B 8.306 C 7.763 D 7.565 E 6.832 J(A,E)=7.5HZ J(D,E)=16.2HZ

         Hz     ppm     Int.
    

       3918.61   9.806    936
       3911.13   9.787   1000
       3325.96   8.323    116
       3323.67   8.317    841
       3321.84   8.312    286
       3319.70   8.307     35
       3317.11   8.301    288
       3314.97   8.295    950
       3312.68   8.289    119
       3109.28   7.781    124
       3108.83   7.779    125
       3106.99   7.775    759
       3106.38   7.773    844
       3104.86   7.769    279
       3104.40   7.768    249
       3102.11   7.763     39
       3099.52   7.756    270
       3097.99   7.752    782
       3097.38   7.751    687
       3095.55   7.746     97
       3095.09   7.745     97
       3032.07   7.587    425
       3015.90   7.547    470
       2741.85   6.861    574
       2734.38   6.842    589
       2725.83   6.821    489
       2718.35   6.802    490
    

in CDCl3



KBr disc



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