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返回ChemicalBook首页>CAS数据库列表>26586-55-0更多图谱> 1-[4-(4-甲基哌嗪)苯基]-1-苯乙酮(26586-55-0)红外图谱(IR2)

26586-55-0

1-[4-(4-甲基哌嗪)苯基]-1-苯乙酮(26586-55-0)红外图谱(IR2)

分子式:C13H18N2O

分子量: 218.29

InChI:InChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3

InChIKey: IRIZGAMYKHTLKS-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(N2CCN(C)CC2)C=C1)C

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    Mass

    MS-NW-7347          
    4'-(4-methyl-1-piperazinyl)acetophenone
    C13H18N2O           (Mass of molecular ion:    218)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.2
          27.0       2.1
          28.0       3.1
          29.0       1.2
          30.0       1.2
          39.0       1.7
          41.0       2.6
          42.0      24.2
          43.0      68.2
          44.0       7.0
          50.0       2.4
          51.0       4.1
          52.0       1.1
          54.0       1.5
          55.0       1.3
          56.0       6.7
          57.0       6.5
          58.0       4.8
          63.0       2.2
          65.0       2.0
          70.0      45.7
          71.0      43.9
          72.0       2.2
          75.0       1.4
          76.0       3.6
          77.0       9.2
          78.0       3.7
          89.0       2.2
          90.0       2.5
          91.0       4.0
          99.0       1.1
         101.0       3.4
         101.5       1.2
         102.0       1.1
         103.0       2.2
         104.0       5.7
         105.0       3.4
         109.0       5.5
         117.0       1.8
         118.0       2.6
         119.0       2.8
         130.0       1.5
         131.0       1.3
         132.0      40.9
         133.0       9.5
         134.0       2.2
         146.0       4.1
         147.0      16.3
         148.0      11.8
         149.0       1.4
         160.0       1.8
         161.0       2.7
         162.0       3.7
         174.0       9.0
         175.0       8.7
         176.0      10.6
         177.0       1.4
         189.0       1.9
         203.0      12.3
         204.0       1.8
         216.0       2.6
         217.0      11.9
         218.0     100.0
         219.0      16.2
         220.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C13 H18 N2 O 0.042 g : 0.5 ml CDCl3
    4'-(4-methyl-1-piperazinyl)acetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.864 B 6.866 C 3.360 D 2.54 E 2.509 F 2.343

         Hz     ppm     Int.
    

        709.25   7.920    153
        707.19   7.897     41
        702.31   7.842     44
        700.13   7.818    182
        619.00   6.912    154
        616.88   6.888     39
        611.94   6.833     35
        609.88   6.810    122
        306.50   3.423    118
        301.63   3.368    136
        299.94   3.350     76
        296.31   3.309    157
        235.00   2.624     38
        232.81   2.600    155
        232.69   2.599    155
        229.38   2.562     78
        227.50   2.541    147
        224.75   2.510   1000
        222.50   2.485    135
        220.19   2.459     40
        209.94   2.345    690
    

in CDCl3

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KBr disc

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nujol mull

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