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返回ChemicalBook首页>CAS数据库列表>26940-56-7更多图谱> 2-(3-羧基苯胺基)-4,6-二氯-1,3,5-三嗪(26940-56-7)红外图谱(IR2)

26940-56-7

2-(3-羧基苯胺基)-4,6-二氯-1,3,5-三嗪(26940-56-7)红外图谱(IR2)

分子式:C10H6Cl2N4O2

分子量: 285.09

InChI:InChI=1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-2-5(4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16)

InChIKey: WQKKRBIBVKBSPV-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC(NC2=NC(Cl)=NC(Cl)=N2)=C1

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    Mass

    MS-NW-7004          
    m-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzoic acid
    C10H6Cl2N4O2        (Mass of molecular ion:    284)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       3.2
          27.0       1.9
          28.0       1.0
          35.0       2.1
          36.0       7.9
          37.0       1.5
          38.0       4.0
          39.0       9.0
          40.0       1.1
          41.0       1.3
          43.0       1.0
          45.0       4.1
          50.0       7.5
          51.0       6.2
          52.0       3.7
          53.0       4.6
          54.0       1.3
          61.0       1.7
          62.0      17.9
          63.0      11.7
          64.0       9.2
          65.0      17.9
          66.0       2.0
          67.0       1.0
          68.0       1.4
          74.0       3.6
          75.0       6.2
          76.0       6.7
          77.0       4.2
          78.0       2.3
          79.0       1.1
          81.0       1.2
          87.0      14.2
          88.0       2.4
          88.5       1.4
          89.0       5.9
          90.0      18.9
          91.0       5.4
          92.0       1.9
          93.0       2.0
         102.0       1.2
         102.5       4.8
         103.0       1.8
         103.5       1.4
         106.0       1.1
         115.0       2.5
         116.0       5.8
         117.0      10.5
         118.0       2.9
         121.0       4.3
         142.0       6.0
         143.0      13.2
         144.0       4.7
         145.0      11.6
         146.0       1.8
         151.0       1.2
         162.0      23.1
         163.0       3.7
         170.0      17.3
         171.0       2.2
         178.0       3.4
         180.0       1.3
         182.0       1.1
         187.0       3.6
         188.0       8.1
         189.0       1.1
         203.0       1.6
         204.0       2.1
         205.0       1.3
         211.0       1.0
         213.0       2.1
         222.0       4.7
         224.0       1.7
         231.0      39.9
         232.0       5.3
         233.0      13.0
         234.0       2.0
         238.0       1.4
         239.0       7.2
         240.0       2.4
         241.0       4.8
         242.0       1.1
         248.0       1.3
         249.0       9.3
         250.0       1.3
         251.0       3.1
         265.0       7.4
         266.0       1.5
         267.0       6.4
         268.0       4.8
         269.0       2.6
         282.0       1.6
         283.0      49.5
         284.0     100.0
         285.0      44.5
         286.0      63.5
         287.0      13.4
         288.0      11.4
         289.0       1.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H6 Cl2 N4 O2 0.039 g : 0.5 ml DMSO-d6
    m-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.1 B 8.165 C *1 7.814 D *1 7.778 E 7.542

         Hz     ppm     Int.
    

       4452.59  11.142    739
       3263.48   8.166   1000
       3127.38   7.826    511
       3119.33   7.806    600
       3112.18   7.788    603
       3104.49   7.769    659
       3021.51   7.561    458
       3013.64   7.541    733
       3005.76   7.521    331
    

KBr disc

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nujol mull

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