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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>17420-30-3更多圖譜> 2-氰基-4-硝基苯胺(17420-30-3)核磁圖(13CNMR)

17420-30-3

2-氰基-4-硝基苯胺(17420-30-3)核磁圖(13CNMR)

產(chǎn)品名稱:2-氰基-4-硝基苯胺

CAS:17420-30-3

分子式:C7H5N3O2

分子量: 163.13

InChI:InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2

InChIKey: MGCGMYPNXAFGFA-UHFFFAOYSA-N

Smiles:C(#N)C1=CC([N+]([O-])=O)=CC=C1N

  • 圖譜
    Mass 

    MS-IW-0859          
5-nitroanthranilonitrile
C7H5N3O2            (Mass of molecular ion:    163)


       Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV


          28.0       4.1
      30.0       2.0
      37.0       1.1
      38.0       2.4
      39.0       6.5
      40.0       1.1
      41.0       2.2
      50.0       1.3
      51.0       2.6
      52.0       4.2
      53.0       1.2
      61.0       1.3
      62.0       3.6
      63.0      20.9
      64.0       5.6
      65.0       2.1
      66.0       1.9
      76.0       1.0
      77.0       1.4
      78.0       3.6
      88.0       1.9
      89.0       3.2
      90.0      60.1
      91.0       5.0
     105.0       6.9
     106.0       1.1
     116.0       2.5
     117.0      38.1
     118.0       3.4
     133.0      17.7
     134.0       1.5
     147.0       2.8
     163.0     100.0
     164.0       9.3

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C7 H5 N3 O2 0.036 g : 0.5 ml DMSO-d6
    5-nitroanthranilonitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.385
      B             8.130
      C             7.50
      D             6.872
  

         Hz     ppm     Int.


       3352.42   8.389    962
   3349.73   8.382   1000
   3343.38   8.366     23
   3341.55   8.362     23
   3255.62   8.147    507
   3252.93   8.140    474
   3246.22   8.123    531
   3243.53   8.116    509
   2999.39   7.506    415
   2751.34   6.885    905
   2746.58   6.873     41
   2741.94   6.861    893
   2737.30   6.850     29

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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  • 圖譜

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