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611-70-1

异丁酰苯(611-70-1)Raman光谱

产品名称:异丁酰苯

CAS:611-70-1

分子式:C10H12O

分子量: 148.2

InChI:InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey: BSMGLVDZZMBWQB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1500          
    isobutyrophenone
    C10H12O             (Mass of molecular ion:    148)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       3.9
          28.0       1.0
          39.0       2.9
          41.0       3.3
          43.0       2.2
          50.0       3.9
          51.0      13.3
          52.0       1.1
          74.0       1.0
          76.0       1.6
          77.0      37.0
          78.0       3.1
         105.0     100.0
         106.0       7.8
         148.0       7.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O 0.04 ml : 0.5 ml CDCl3
    isobutyrophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.95 B 7.67 to 7.31 C 3.543 D 1.216

         Hz     ppm     Int.
    

        717.31   8.010     84
        715.50   7.990     93
        713.63   7.969     39
        712.56   7.957     38
        712.06   7.951     37
        710.19   7.930     71
        708.88   7.916     33
        707.56   7.901    128
        677.81   7.569     30
        676.44   7.553     35
        675.94   7.548     37
        675.19   7.539     30
        673.31   7.518    122
        672.56   7.510    173
        671.19   7.495    170
        670.19   7.484     86
        669.63   7.477     61
        668.63   7.466     61
        666.88   7.447     57
        665.88   7.436     57
        665.19   7.428     90
        664.75   7.423     82
        660.00   7.370     33
        324.88   3.628     44
        318.13   3.553     61
        311.25   3.476     49
        112.19   1.253   1000
        110.00   1.229     35
        105.38   1.177    910
        103.25   1.153     35
    

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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