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4595-59-9

5-溴嘧啶(4595-59-9)質(zhì)譜(MS)

產(chǎn)品名稱:5-溴嘧啶

CAS:4595-59-9

分子式:C4H3BrN2

分子量: 158.98

InChI:InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H

InChIKey: GYCPLYCTMDTEPU-UHFFFAOYSA-N

Smiles:C1=NC=C(Br)C=N1

  • 圖譜
    Mass 

    MS-IW-0698          
5-bromopyrimidine
C4H3BrN2            (Mass of molecular ion:    158)


       Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          25.0       2.0
      26.0       1.2
      28.0       2.3
      37.0       1.0
      38.0       1.7
      50.0       1.1
      51.0      10.4
      52.0      18.8
      53.0       1.3
      65.5       1.2
      66.5       1.2
      79.0       1.1
     104.0      23.6
     105.0       1.0
     106.0      23.4
     130.0       1.6
     131.0      16.7
     132.0       2.2
     133.0      16.0
     158.0     100.0
     159.0       5.9
     160.0      97.7
     161.0       5.4

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C4 H3 Br N2 0.039 g : 0.5 ml CDCl3
    5-bromopyrimidine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             9.148
      B             8.833
  

         Hz     ppm     Int.


       3656.31   9.149    297
   3530.27   8.834   1000

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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