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返回ChemicalBook首页>CAS数据库列表>2797-51-5更多图谱> 2-氨基-3-氯-1,4-萘醌(2797-51-5)红外图谱(IR1)

2797-51-5

2-氨基-3-氯-1,4-萘醌(2797-51-5)红外图谱(IR1)

分子式:C10H6ClNO2

分子量: 207.61

InChI:InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2

InChIKey: OBLNWSCLAYSJJR-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(=O)C(Cl)=C1N

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    Mass

    MS-IW-5658          
    2-amino-3-chloro-1,4-naphthoquinone
    C10H6ClNO2          (Mass of molecular ion:    207)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          28.0       1.1
          39.0       1.2
          40.0       1.0
          50.0       5.2
          51.0       2.1
          57.5       1.6
          62.0       1.5
          63.0       2.2
          68.0       3.7
          74.0       2.9
          75.0       3.6
          75.5       1.4
          76.0      10.7
          77.0       5.5
          87.0       1.1
          88.0       2.2
          89.0      11.7
          89.5       1.1
          90.0       1.5
         104.0       5.2
         105.0       7.6
         114.0       1.2
         115.0       1.9
         116.0       7.2
         117.0       1.1
         123.0       1.8
         126.0       2.5
         128.0       4.0
         144.0      12.7
         145.0       1.6
         151.0       1.2
         154.0       5.4
         163.0       1.0
         171.0       1.3
         172.0      84.1
         173.0       9.7
         179.0       4.2
         180.0       5.8
         181.0       1.9
         182.0       1.8
         206.0       1.1
         207.0     100.0
         208.0      11.9
         209.0      33.0
         210.0       3.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H6 Cl N O2 saturated in DMSO-d6
    2-amino-3-chloro-1,4-naphthoquinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.99 B *1 7.835 C *1 7.752 D 7.6

         Hz     ppm     Int.
    

       3197.02   8.000    646
       3195.56   7.996    786
       3195.07   7.995    761
       3193.73   7.992    690
       3189.70   7.982    817
       3187.99   7.977   1000
       3186.04   7.973    827
       3139.89   7.857    361
       3138.67   7.854    375
       3136.35   7.848     49
       3132.45   7.838    770
       3131.10   7.835    740
       3127.32   7.826     46
       3127.08   7.825     46
       3124.88   7.820    461
       3123.54   7.816    422
       3105.22   7.770    527
       3103.88   7.767    533
       3101.56   7.761     55
       3097.66   7.751    751
       3096.44   7.748    724
       3092.65   7.739     53
       3090.09   7.732    309
       3088.87   7.729    299
       3016.97   7.550    210
    

in DMSO-d6

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KBr disc

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nujol mull

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