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返回ChemicalBook首页>CAS数据库列表>3318-61-4更多图谱> 1-苯基-2,4-戊烷二酮(3318-61-4)红外图谱(IR1)

3318-61-4

1-苯基-2,4-戊烷二酮(3318-61-4)红外图谱(IR1)

分子式:C11H12O2

分子量: 176.21

InChI:InChI=1S/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey: NROOHYGFTHTDFF-UHFFFAOYSA-N

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

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    Mass

    MS-IW-3832          
    1-phenyl-2,4-pentanedione
    C11H12O2            (Mass of molecular ion:    176)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.0
          39.0       4.3
          41.0       2.5
          43.0      34.9
          50.0       1.1
          51.0       2.7
          63.0       3.0
          65.0       8.9
          69.0       1.7
          77.0       2.2
          85.0     100.0
          86.0       5.0
          89.0       2.9
          90.0       2.2
          91.0      33.2
          92.0      15.1
          93.0       1.1
         105.0       1.3
         115.0       1.7
         118.0      21.5
         119.0       2.1
         176.0      10.0
         177.0       1.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C11 H12 O2 0.05 ml : 0.5 ml CDCl3
    1-phenyl-2,4-pentanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 15.41 B 7.306 C 7.26 D 7.22 E 5.423 F 3.559 G 1.978

         Hz     ppm     Int.
    

       2930.46   7.333     47
       2928.97   7.329     78
       2927.47   7.326     39
       2924.91   7.319     43
       2924.05   7.317     58
       2922.34   7.313    201
       2920.63   7.308    130
       2919.35   7.305     30
       2917.86   7.302     44
       2916.15   7.297     87
       2914.86   7.294    212
       2914.01   7.292    137
       2912.73   7.289     49
       2905.25   7.270     43
       2903.75   7.266     94
       2902.26   7.263     83
       2896.49   7.248    111
       2893.71   7.241     44
       2891.36   7.235    173
       2889.86   7.231    217
       2887.51   7.226     65
       2886.23   7.222     77
       2884.74   7.219     72
       2883.24   7.215    136
       2882.81   7.214    124
       2881.74   7.211     99
       2167.40   5.424    417
       1422.49   3.560    459
        793.41   1.986     33
        790.84   1.979   1000
        787.64   1.971     48
    

in CDCl3

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liquid film

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