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5220-49-5

3-氨基-2-环己烯-1-酮(5220-49-5)红外图谱(IR2)

分子式:C6H9NO

分子量: 111.14

InChI:InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2

InChIKey: ZZMRPOAHZITKBV-UHFFFAOYSA-N

Smiles:C1(=O)CCCC(N)=C1

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    Mass

    MS2008-03710CW      
    3-amino-2-cyclohexen-1-one
    C6H9NO              (Mass of molecular ion:    111)
    

       Source Temperature: 238 °C
       Sample Temperature:  26 °C
       Direct, 70 eV
    

          17.0       1.5
          18.0       7.3
          27.0       2.7
          28.0       3.6
          29.0       1.6
          30.0       1.2
          38.0       1.2
          39.0       5.2
          40.0       4.2
          40.5       3.1
          41.0       7.3
          42.0       3.4
          44.0       1.6
          52.0       1.3
          53.0       1.3
          54.0      12.5
          55.0      28.5
          56.0       1.3
          65.0       1.1
          67.0       1.4
          68.0       4.3
          80.0       1.3
          82.0       2.1
          83.0     100.0
          84.0       4.8
          96.0       1.4
         110.0       1.4
         111.0      78.3
         112.0       8.1
         149.0       1.4
    

in DMSO-d6

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in DMSO-d6

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KBr disk

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Nujol

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