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530-62-1

N,N'-羰基二咪唑(530-62-1)质谱(MS)

产品名称: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

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    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

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    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

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nujol mull

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