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51-45-6

组胺(51-45-6)核磁图(1HNMR)

产品名称:组胺

CAS:51-45-6

分子式:C5H9N3

分子量: 111.15

InChI:InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N

Smiles:C1NC(CCN)=CN=1

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    Mass

    MS-NW-5361          
    4-(2-aminoethyl)imidazole
    C5H9N3              (Mass of molecular ion:    111)
    

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

          18.0       1.0
          26.0       1.9
          27.0       4.1
          28.0      21.7
          29.0       2.1
          30.0      41.8
          38.0       1.3
          39.0       3.2
          40.0       2.8
          41.0       3.6
          42.0       2.8
          43.0       1.0
          44.0       1.3
          52.0       2.9
          53.0       1.7
          54.0      14.3
          55.0      12.4
          56.0       2.7
          81.0      30.9
          82.0     100.0
          83.0       6.3
          93.0       1.3
          94.0       1.3
         111.0       3.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H9 N3 0.034 g : 0.5 ml CDCl3
    4-(2-aminoethyl)imidazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.538 B 6.804 C 4.9 D 2.97 E 2.75

         Hz     ppm     Int.
    

        675.25   7.540   1000
        609.56   6.807    948
        441.31   4.928    259
        275.50   3.077    215
        275.13   3.073    218
        273.44   3.054    278
        269.88   3.014    369
        269.38   3.008    370
        267.31   2.985    910
        264.63   2.955    292
        261.63   2.922    855
        250.81   2.801    818
        245.31   2.740    807
        240.81   2.689    247
        240.31   2.684    260
        239.69   2.677    294
        239.06   2.670    289
        237.56   2.653    259
    

in CDCl3

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KBr disc

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