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7379-35-3

4-氯吡啶鹽酸鹽(7379-35-3)質(zhì)譜(MS)

產(chǎn)品名稱:4-氯吡啶鹽酸鹽

CAS:7379-35-3

分子式:C5H4ClN.ClH

分子量: 150.01

InChI:InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H

InChIKey: XGAFCCUNHIMIRV-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=NC=C1.Cl

  • 圖譜
    Mass 

    MS-NW-9260          
4-chloropyridine hydrochloride
C5H4ClN HCl         (Mass of molecular ion:    113)


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


          18.0       1.6
      26.0       1.1
      28.0       1.7
      35.0       2.4
      36.0      34.3
      37.0       1.6
      38.0      11.5
      38.5       1.7
      49.0       3.0
      50.0      11.1
      51.0      24.6
      52.0       2.6
      56.5       1.1
      60.0       1.5
      73.0       2.6
      75.0       1.9
      76.0       4.0
      77.0       1.5
      78.0      65.3
      79.0       3.9
      85.0       1.5
      86.0       4.3
      87.0       1.0
      88.0       1.4
     112.0       1.6
     113.0     100.0
     114.0       8.1
     115.0      32.2
     116.0       2.4

90 MHz in D2O

  • 圖譜

    1H NMR 89.56 MHz
    C5 H4 Cl N 0.040 g : 0.5 ml D2O
    4-chloropyridine hydrochloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.794
      B             8.19
     
     THE SOLVENT SIGNAL REMOVED.
  

         Hz     ppm     Int.


        791.81   8.842    768
    790.63   8.828    357
    790.06   8.822    335
    786.63   8.784    353
    784.75   8.763   1000
    783.13   8.745    192
    736.75   8.227    742
    731.31   8.166    306
    729.75   8.149    584

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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