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122-00-9

4'-甲基苯乙酮(122-00-9)核磁图(13CNMR)

产品名称:4'-甲基苯乙酮

CAS:122-00-9

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

InChIKey: GNKZMNRKLCTJAY-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0053          
    4'-methylacetophenone
    C9H10O              (Mass of molecular ion:    134)
    

       Source Temperature: 215 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          15.0       1.4
          27.0       1.5
          38.0       1.5
          39.0       9.7
          41.0       2.1
          43.0       8.0
          50.0       3.4
          51.0       5.4
          52.0       1.1
          62.0       3.0
          63.0       7.9
          64.0       2.0
          65.0      18.2
          66.0       1.1
          74.0       1.1
          77.0       2.5
          89.0       6.3
          90.0       3.3
          91.0      65.6
          92.0       5.7
         105.0       1.6
         119.0     100.0
         120.0       8.8
         134.0      32.2
         135.0       3.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C9 H10 O 0.05 ml : 0.5 ml CDCl3
    4'-methylacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.838 B 7.228 C 2.544 D 2.381

         Hz     ppm     Int.
    

       3138.43   7.853     55
       3136.60   7.849    232
       3134.89   7.845     84
       3130.13   7.833     97
       3128.42   7.828    241
       3126.46   7.823     45
       2893.43   7.240    192
       2892.70   7.239    204
       2892.09   7.237    144
       2890.75   7.234     65
       2886.84   7.224     78
       2886.11   7.222    106
       2885.38   7.220    149
       2884.77   7.219    189
       2884.16   7.217    158
       2882.32   7.213     32
       1016.85   2.545   1000
       1013.67   2.537     44
        951.90   2.382    575
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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