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1121-76-2

4-氯吡啶 N-氧化物(1121-76-2)Raman光谱

分子式:C5H4ClNO

分子量: 129.54

InChI:InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H

InChIKey: DPJVRASYWYOFSJ-UHFFFAOYSA-N

Smiles:C1[N+]([O-])=CC=C(Cl)C=1

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    Mass

    MS-IW-9733          
    4-chloropyridine 1-oxide
    C5H4ClNO            (Mass of molecular ion:    129)
    

       Source Temperature: 150 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          26.0       1.1
          28.0       3.2
          29.0       1.6
          30.0       1.1
          37.0       3.1
          38.0       7.9
          39.0      18.1
          40.0       1.1
          41.0       1.5
          49.0       3.1
          50.0       6.8
          51.0       8.1
          52.0       1.2
          60.0       1.1
          61.0       2.8
          62.0       4.7
          63.0       6.9
          64.0       2.3
          64.5       7.5
          65.0       1.6
          65.5       2.4
          66.0       6.0
          67.0       7.8
          72.0       1.1
          73.0      14.9
          74.0       5.4
          75.0       6.1
          76.0       7.8
          78.0       7.0
          85.0       1.1
          94.0       1.8
         100.0       2.3
         102.0       9.4
         104.0       2.8
         112.0       5.1
         113.0       6.0
         114.0       2.0
         115.0       1.9
         128.0       1.5
         129.0     100.0
         130.0       6.8
         131.0      32.6
         132.0       2.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H4 Cl N O 0.041 g : 0.5 ml DMSO-d6
    4-chloropyridine 1-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.283 B 7.587

         Hz     ppm     Int.
    

       3316.04   8.298    110
       3312.87   8.290    875
       3310.91   8.285    383
       3307.62   8.277    368
       3305.66   8.272    933
       3302.49   8.264    113
       3039.06   7.605    120
       3035.89   7.597   1000
       3033.69   7.591    408
       3030.52   7.583    380
       3028.44   7.578    935
       3025.27   7.570    108
    

in DMSO-d6

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KBr disc

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nujol mull

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