52364-72-4

4-庚氧基-4'-氰基聯(lián)苯(52364-72-4)質(zhì)譜(MS)

產(chǎn)品名稱:4-庚氧基-4'-氰基聯(lián)苯

CAS:52364-72-4

分子式:C20H23NO

分子量: 293.4

InChI:InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3

InChIKey: JPBFKTCKZLMJED-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(OCCCCCCC)C=C2)=CC=C(C#N)C=C1

Mass

MS2016-05370CM      
4'-heptyloxy-4-biphenylcarbonitrile
C20H23NO            (Mass of molecular ion:    293)

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

      27.0       1.3
      29.0       3.7
      39.0       1.2
      41.0       6.4
      43.0       5.4
      55.0       3.7
      57.0       8.8
     139.0       2.2
     140.0       5.1
     151.0       2.9
     152.0       1.1
     164.0       1.3
     166.0       8.6
     167.0       2.1
     177.0       3.2
     178.0       3.4
     194.0       3.6
     195.0     100.0
     196.0      27.0
     197.0       2.3
     208.0       1.7
     293.0      47.4
     294.0      10.5
     295.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₀ H₂₃ N O	0.041 g : 0.5 ml CDCl₃
4'-heptyloxy-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.64
      B             7.509
      C             6.984
      D             3.991
      E             1.81
      F          1.62 to 1.16
      G             0.90

     Hz     ppm     Int.

    686.75   7.669     37
    684.63   7.645   1000
    680.94   7.604     36
    680.44   7.598     38
    677.56   7.566    246
    675.38   7.542    104
    670.81   7.491     79
    668.56   7.465    354
    665.75   7.434     42
    629.31   7.027    315
    627.06   7.002     81
    622.56   6.952     63
    620.38   6.927    219
    364.44   4.070     98
    358.06   3.998    253
    351.69   3.927    141
    162.56   1.816     50
    161.69   1.806     55
    158.50   1.770     35
    155.25   1.734     46
    154.88   1.730     46
    154.50   1.726     44
    139.13   1.554     35
    138.56   1.548     37
    138.25   1.544     40
    137.50   1.536     43
    136.88   1.529     41
    136.44   1.524     41
    135.38   1.512     41
    134.81   1.506     43
    133.75   1.494     49
    133.25   1.488     48
    132.88   1.484     50
    132.44   1.479     50
    132.00   1.474     50
    131.13   1.465     54
    130.38   1.456     57
    121.38   1.356    292
    118.00   1.318    186
    117.63   1.314    184
    116.31   1.299    168
    111.38   1.244     47
    110.81   1.238     43
    110.44   1.234     42
    109.88   1.227     38
    109.56   1.224     36
     85.75   0.958     74
     84.31   0.942     64
     83.94   0.938     64
     83.44   0.932     67
     83.13   0.929     67
     80.44   0.899    253
     76.44   0.854     40
     75.81   0.847     38
     74.56   0.833     45
     73.56   0.822     39

in CDCl3