52709-86-1

4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile(52709-86-1) MS

Product Name4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile

CAS 52709-86-1

Molecular FormulaC16H15NO

Molecular Weight237.3

InChIInChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3

InChIKey RZCQJZFWJZHMPK-UHFFFAOYSA-N

SmilesC1(C2=CC=C(OCCC)C=C2)=CC=C(C#N)C=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile(52709-86-1) MS
Mass

MS-NW-4507          
4'-propoxy-4-biphenylcarbonitrile
C16H15NO            (Mass of molecular ion:    237)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.6
      27.0       5.9
      39.0       3.0
      41.0       5.9
      43.0       6.4
      51.0       1.0
      55.0       1.4
      63.0       1.8
      75.0       1.1
     113.0       1.1
     115.0       1.0
     127.0       1.0
     139.0       3.0
     140.0       6.8
     141.0       1.2
     151.0       2.1
     164.0       1.5
     166.0       8.8
     167.0       2.1
     177.0       2.3
     178.0       1.4
     194.0       3.2
     195.0     100.0
     196.0      14.2
     197.0       1.2
     237.0      25.8
     238.0       4.8

90 MHz in CDCl3

4-Propoxy-[1,1'-biphenyl]-4'-carbonitrile(52709-86-1) MS

¹H NMR	89.56 MHz
C₁₆ H₁₅ N O	0.044 g : 0.5 ml CDCl₃
4'-propoxy-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.64
      B             7.51
      C             6.984
      D             3.961
      E             1.81
      F             1.06

     Hz     ppm     Int.

    686.31   7.664     35
    683.88   7.637   1000
    680.19   7.595     43
    677.25   7.562    260
    675.00   7.537    105
    670.56   7.488     89
    668.25   7.462    379
    665.44   7.431     47
    632.31   7.061     33
    629.44   7.029    329
    627.13   7.003     86
    622.63   6.953     65
    620.44   6.928    232
    361.50   4.037     82
    355.00   3.964    183
    348.50   3.892     93
    174.31   1.947     58
    167.69   1.873     98
    161.56   1.804     72
    160.44   1.792    125
    153.88   1.719     84
    153.06   1.710     44
    145.44   1.624     40
    101.31   1.132    225
     94.31   1.054    464
     93.63   1.046    276
     86.63   0.968    138
     85.75   0.958     79

in CDCl3