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返回ChemicalBook首页>CAS数据库列表>54127-30-9更多图谱> 5,6-二氯-3-吡啶甲醇(54127-30-9)质谱(MS)

54127-30-9

5,6-二氯-3-吡啶甲醇(54127-30-9)质谱(MS)

分子式:C6H5Cl2NO

分子量: 178.02

InChI:InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2

InChIKey: ZOFUUOULXZPZHP-UHFFFAOYSA-N

Smiles:C1=NC(Cl)=C(Cl)C=C1CO

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    Mass

    MS-IW-8669          
    (5,6-dichloro-3-pyridyl)methanol
    C6H5Cl2NO           (Mass of molecular ion:    177)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.3
          26.0       1.5
          27.0       3.1
          28.0       7.4
          29.0       7.8
          31.0      12.9
          32.0       1.2
          36.0       2.9
          37.0       3.1
          38.0       3.8
          39.0       4.1
          41.0       1.1
          43.0       1.0
          47.0       1.5
          48.0       1.9
          49.0       5.2
          50.0      12.1
          51.0      17.2
          52.0       4.5
          53.0       2.5
          55.0       3.4
          56.5       1.0
          57.0       1.3
          60.0       2.5
          61.0       4.1
          62.0       5.7
          63.0       4.5
          64.0       1.8
          69.0       1.2
          70.5       2.5
          72.0       2.4
          73.0       5.4
          74.0       2.1
          75.0       6.9
          76.0      22.1
          77.0       3.0
          78.0      23.3
          79.0       3.2
          83.0       1.2
          84.0       5.8
          85.0      11.7
          86.0       5.1
          87.0      10.2
          88.0       3.7
          89.0       3.5
          90.0       1.2
          91.0       1.8
          92.0       1.1
          96.0       1.1
          97.0       4.6
          98.0       1.4
          99.0       2.7
         105.0       1.4
         106.0      15.1
         107.0       3.1
         109.0       2.1
         110.0       7.1
         111.0       2.5
         112.0      77.7
         113.0      12.8
         114.0      35.3
         115.0      11.4
         116.0       4.2
         117.0       2.4
         119.0       1.5
         121.0       2.3
         123.0       1.2
         124.0      12.9
         125.0       4.3
         126.0       4.8
         127.0       1.4
         133.0       3.2
         134.0       1.0
         135.0       2.6
         140.0       6.4
         141.0       3.4
         142.0      37.6
         143.0       3.7
         144.0      11.7
         146.0       6.0
         147.0       5.0
         148.0     100.0
         149.0       9.4
         150.0      62.6
         151.0       4.5
         152.0      10.1
         159.0       6.4
         160.0       9.5
         161.0       5.4
         162.0       6.2
         163.0       1.4
         164.0       1.2
         174.0       4.9
         175.0       2.5
         176.0      56.7
         177.0      87.2
         178.0      42.0
         179.0      55.7
         180.0      10.2
         181.0       9.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H5 Cl2 N O 0.039 g : 0.5 ml CDCl3
    (5,6-dichloro-3-pyridyl)methanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.218 B 7.835 C 4.728 D 3.38

         Hz     ppm     Int.
    

       3285.40   8.221    414
       3284.79   8.220    294
       3284.06   8.218    296
       3283.33   8.216    419
       3133.06   7.840    280
       3132.32   7.838    486
       3131.59   7.836    308
       3130.98   7.835    305
       3130.25   7.833    462
       3129.52   7.831    254
       1889.65   4.729   1000
       1351.56   3.382     44
    

in CDCl3

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KBr disc

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nujol mull

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