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41667-95-2

5,6-二氯烟酸(41667-95-2)红外图谱(IR2)

产品名称:5,6-二氯烟酸

CAS:41667-95-2

分子式:C6H3Cl2NO2

分子量: 192

InChI:InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)

InChIKey: RNRLTTNKVLFZJS-UHFFFAOYSA-N

Smiles:C1=NC(Cl)=C(Cl)C=C1C(O)=O

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    Mass

    MS-IW-8124          
    5,6-dichloronicotinic acid
    C6H3Cl2NO2          (Mass of molecular ion:    191)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          17.0       2.4
          18.0      12.1
          28.0       1.4
          37.0       1.5
          38.0       1.8
          45.0       4.3
          49.0       3.7
          50.0       7.1
          51.0       2.3
          53.0       1.4
          55.5       1.2
          60.0       1.6
          62.0       2.2
          64.0       1.0
          73.0       4.6
          74.0       2.6
          75.0       6.4
          76.0      11.9
          77.5       1.1
          84.0       5.9
          85.0       5.0
          86.0       3.0
          87.0       2.5
         100.0       1.2
         110.0      14.3
         111.0       3.1
         112.0       9.0
         113.0       1.3
         114.0       1.4
         119.0       1.8
         121.0       1.3
         128.0       1.8
         138.0       1.3
         145.0       4.7
         146.0      25.0
         147.0       4.7
         148.0      16.0
         149.0       1.6
         150.0       2.6
         156.0       1.5
         162.0       1.5
         163.0       2.5
         164.0       1.2
         165.0       1.6
         173.0      39.1
         174.0      46.5
         175.0      28.2
         176.0      29.8
         177.0       5.9
         178.0       5.0
         191.0     100.0
         192.0       7.8
         193.0      65.1
         194.0       4.9
         195.0      10.6
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H3 Cl2 N O2 0.040 g : 0.5 ml DMSO-d6
    5,6-dichloronicotinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.9 B 8.833 C 8.440

         Hz     ppm     Int.
    

       3534.12   8.844     26
       3531.34   8.837    910
       3529.21   8.831    809
       3374.50   8.444    924
       3372.36   8.439   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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