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返回ChemicalBook首页>CAS数据库列表>101-38-2更多图谱> 2,6-二氯醌-4-氯亚胺(101-38-2)红外图谱(IR1)

101-38-2

2,6-二氯醌-4-氯亚胺(101-38-2)红外图谱(IR1)

分子式:C6H2Cl3NO

分子量: 210.45

InChI:InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

InChIKey: YHUMTHWQGWPJOQ-UHFFFAOYSA-N

Smiles:C1(=O)C(Cl)=C/C(=N\Cl)/C=C1Cl

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    Mass

    MS-NW-1678          
    N,2,6-trichloro-p-benzoquinone monoimine
    C6H2Cl3NO           (Mass of molecular ion:    209)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.7
          24.0       1.5
          25.0       6.5
          26.0       1.9
          28.0       3.2
          35.0       3.1
          36.0       5.7
          37.0       7.2
          38.0       2.9
          47.0       4.3
          48.0       3.7
          49.0       6.4
          50.0       9.3
          51.0      26.0
          52.0      13.8
          53.0      36.6
          54.0       1.9
          55.5       2.3
          59.0       1.5
          60.0      33.5
          60.5       1.6
          61.0       6.0
          61.5       1.0
          62.0      14.6
          63.0       3.5
          64.0       1.3
          65.0       1.1
          71.0       1.0
          72.0       4.0
          72.5       1.4
          73.0       2.3
          73.5       1.1
          74.0       2.9
          75.0       8.4
          76.0      13.4
          77.0       1.2
          78.0       1.5
          80.0       1.1
          83.0       1.7
          84.0       3.5
          85.0      11.1
          86.0      55.4
          87.0       9.8
          88.0      20.8
          89.0       2.3
          90.0       1.5
          95.0       2.2
          96.0       1.2
          97.0       2.2
         107.0       1.5
         109.0       1.4
         110.0      34.0
         111.0       9.0
         112.0      17.0
         113.0       6.1
         114.0      31.1
         115.0       2.5
         116.0       9.5
         119.0       6.2
         120.0       5.2
         121.0      16.3
         122.0       4.1
         123.0      55.5
         124.0       2.9
         125.0      31.1
         126.0       1.4
         127.0       4.8
         139.0       1.3
         140.0       9.5
         141.0       1.4
         142.0       3.1
         146.0      43.5
         147.0       4.9
         148.0      34.9
         149.0       3.6
         150.0       9.7
         174.0      24.2
         175.0      18.9
         176.0      17.6
         177.0      12.1
         178.0       3.8
         179.0       1.9
         181.0      12.0
         183.0      11.9
         185.0       3.7
         209.0     100.0
         210.0       7.3
         211.0      94.6
         212.0       7.2
         213.0      31.2
         214.0       2.3
         215.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H2 Cl3 N O saturated in CDCl3
    N,2,6-trichloro-p-benzoquinone monoimine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.987 B 7.506

         Hz     ppm     Int.
    

        716.75   8.004    847
        715.81   7.993     47
        714.19   7.975   1000
        673.50   7.521    924
        670.88   7.491    831
    

in CDCl3

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KBr disc

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nujol mull

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