1,3-DIPHENYLPROPANE(1081-75-0) MS

Product Name1,3-DIPHENYLPROPANE

CAS 1081-75-0

Molecular FormulaC15H16

Molecular Weight196.29

InChIInChI=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

SmilesC(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

¹H NMR	89.56 MHz
C₁₅ H₁₆	0.04 ml : 0.5 ml CDCl₃
1,3-diphenylpropane

    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