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返回ChemicalBook首页>CAS数据库列表>53233-89-9更多图谱> 5-氯-2,3-二羟基吡啶(53233-89-9)核磁图(13CNMR)

53233-89-9

5-氯-2,3-二羟基吡啶(53233-89-9)核磁图(13CNMR)

分子式:C5H4ClNO2

分子量: 145.54

InChI:InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)

InChIKey: AJGLCXBDYCEVIE-UHFFFAOYSA-N

Smiles:C1(=O)NC=C(Cl)C=C1O

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    Mass

    MS-IW-4111          
    5-chloro-2,3-pyridinediol
    C5H4ClNO2           (Mass of molecular ion:    145)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       3.2
          26.0       2.1
          27.0       1.6
          28.0      10.8
          29.0       2.3
          36.0       1.3
          37.0       2.4
          38.0       3.3
          39.0       1.4
          44.0       1.4
          51.0       2.1
          52.0       5.2
          53.0       6.0
          54.0      37.4
          55.0       5.1
          58.5       3.3
          59.5       1.0
          60.0       1.7
          61.0       3.2
          62.0       2.1
          63.0       1.6
          64.0       2.9
          72.5       1.8
          73.0       1.8
          80.0       2.8
          82.0       3.4
          88.0       1.4
          89.0      16.3
          90.0       1.4
          91.0       5.2
          92.0       3.5
         116.0       4.0
         117.0      12.9
         118.0       2.0
         119.0       4.2
         145.0     100.0
         146.0       7.0
         147.0      32.7
         148.0       2.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H4 Cl N O2 0.031 g : 0.5 ml DMSO-d6
    5-chloro-2,3-pyridinediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 11.9 B *1 9.7 C 7.061 D 6.754

         Hz     ppm     Int.
    

       2823.33   7.065    814
       2820.58   7.058    805
       2816.92   7.049     23
       2700.79   6.758   1000
       2698.23   6.752    852
    

in DMSO-d6

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KBr disc

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nujol mull

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