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530-62-1

N,N'-羰基二咪唑(530-62-1)質譜(MS)

產品名稱:N,N'-羰基二咪唑

CAS:530-62-1

分子式:C7H6N4O

分子量: 162.15

InChI:InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

InChIKey: PFKFTWBEEFSNDU-UHFFFAOYSA-N

Smiles:C(N1C=NC=C1)(N1C=NC=C1)=O

  • 圖譜
    Mass 

    MS-KW-0104          
1,1'-carbonyldiimidazole
C7H6N4O             (Mass of molecular ion:    162)


       Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          26.0       1.3
      28.0       4.7
      38.0       1.2
      39.0       3.6
      40.0      37.9
      41.0      10.6
      44.0       1.4
      52.0       1.4
      67.0       7.5
      68.0     100.0
      69.0       4.3
      95.0      28.6
      96.0       1.5
     120.0      38.0
     121.0       2.9
     135.0      11.4
     162.0      55.7
     163.0       6.2

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H6 N4 O 0.035 g : 0.5 ml CDCl3
    1,1'-carbonyldiimidazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.212
      B             7.547
      C             7.251
  

         Hz     ppm     Int.


       3283.08   8.215    692
   3282.23   8.213    840
   3281.86   8.212    841
   3281.01   8.210    681
   3017.94   7.552    720
   3016.36   7.548   1000
   3014.89   7.544    728
   2899.05   7.254    749
   2898.32   7.253    799
   2897.34   7.250    789
   2896.61   7.248    731

in CDCl3

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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