52364-71-3

4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3) MS

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

CAS 52364-71-3

Molecular FormulaC18H19NO

Molecular Weight265.35

InChIInChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3

InChIKey RDISTOCQRJJICR-UHFFFAOYSA-N

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

Request For Quotation

4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3) MS
Mass

MS-NW-4511          
4'-pentyloxy-4-biphenylcarbonitrile
C18H19NO            (Mass of molecular ion:    265)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.0
      27.0       4.9
      29.0       7.4
      39.0       3.2
      41.0       8.5
      42.0       1.2
      43.0      17.3
      55.0       2.6
      63.0       1.5
      69.0       1.0
      71.0       1.5
     139.0       2.2
     140.0       5.9
     141.0       1.0
     151.0       2.4
     164.0       1.2
     166.0       7.5
     167.0       1.9
     177.0       2.1
     178.0       2.2
     194.0       2.7
     195.0     100.0
     196.0      15.6
     197.0       1.4
     265.0      22.6
     266.0       4.6

90 MHz in CDCl3

4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3) MS

¹H NMR	89.56 MHz
C₁₈ H₁₉ N O	0.042 g : 0.5 ml CDCl₃
4'-pentyloxy-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.64
      B             7.51
      C             6.980
      D             3.988
      E             1.82
      F             1.46
      G             1.37
      J             0.94

     Hz     ppm     Int.

    686.13   7.662     32
    683.88   7.637   1000
    680.06   7.594     41
    677.13   7.561    246
    674.88   7.536     94
    670.38   7.486     78
    668.13   7.461    353
    665.25   7.428     40
    631.94   7.057     32
    629.06   7.024    311
    626.75   6.999     80
    622.25   6.948     61
    620.06   6.924    216
    364.13   4.066    101
    357.75   3.995    263
    351.38   3.924    148
    168.81   1.885     34
    165.94   1.853     30
    164.19   1.834     30
    162.19   1.811     57
    159.75   1.784     37
    158.06   1.765     30
    155.81   1.740     50
    145.94   1.630     44
    138.00   1.541     31
    136.63   1.526     54
    135.63   1.515     47
    133.00   1.486     70
    132.81   1.483     70
    131.94   1.474     78
    130.50   1.458     86
    129.56   1.447    136
    127.94   1.429    101
    127.06   1.419     91
    125.44   1.401    108
    121.75   1.360    115
    119.19   1.331     48
     90.06   1.006     85
     87.75   0.980     51
     85.56   0.956     77
     84.13   0.940    237
     80.31   0.897     51
     80.00   0.894     51
     79.88   0.892     51
     78.31   0.875     49
     76.81   0.858     38

in CDCl3