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1081-75-0

1,3-二苯丙烷(1081-75-0)质谱(MS)

产品名称:1,3-二苯丙烷

CAS:1081-75-0

分子式:C15H16

分子量: 196.29

InChI:InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

InChIKey: VEAFKIYNHVBNIP-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)CCC1=CC=CC=C1

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    Mass

    MS2016-05358CM      
    1,3-diphenylpropane
    C15H16              (Mass of molecular ion:    196)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          27.0       3.8
          39.0       8.7
          41.0       2.8
          50.0       2.7
          51.0       9.2
          52.0       2.3
          53.0       1.3
          62.0       1.0
          63.0       4.6
          64.0       1.2
          65.0      16.3
          66.0       1.1
          76.0       1.1
          77.0      16.0
          78.0       6.4
          79.0      10.8
          89.0       3.0
          90.0       1.0
          91.0      59.9
          92.0     100.0
          93.0       7.3
         102.0       1.2
         103.0       8.2
         104.0      11.1
         105.0      45.4
         106.0       4.1
         115.0       2.6
         117.0       3.6
         118.0       3.0
         165.0       1.0
         196.0      44.1
         197.0       7.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C15 H16 0.04 ml : 0.5 ml CDCl3
    1,3-diphenylpropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.43 to 7.00 B 2.64 C 1.97

         Hz     ppm     Int.
    

        661.81   7.390     30
        658.81   7.357     70
        657.69   7.344     42
        656.19   7.327     50
        655.63   7.321     46
        653.63   7.299     69
        651.19   7.271    193
        648.38   7.240    188
        646.50   7.219    949
        645.00   7.202   1000
        641.31   7.161    138
        639.63   7.142     87
        638.75   7.133     99
        637.44   7.118    100
        632.13   7.059     43
        245.00   2.736    109
        244.25   2.728    115
        237.38   2.651    266
        229.81   2.566    219
        190.00   2.122     46
        188.44   2.105     44
        183.56   2.050     69
        182.44   2.038     47
        181.88   2.031     54
        180.81   2.019     86
        177.06   1.977     42
        174.56   1.950     87
        173.00   1.932     68
        171.50   1.915     35
        168.69   1.884     41
        167.50   1.871     33
        166.25   1.857     40
        165.19   1.845     42
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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