40817-08-1

4'-正戊基-4-氰基联苯(40817-08-1)核磁图(¹³CNMR)

产品名称:4'-正戊基-4-氰基联苯

CAS:40817-08-1

分子式:C18H19N

分子量: 249.35

InChI:InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3

InChIKey: HHPCNRKYVYWYAU-UHFFFAOYSA-N

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

Mass

MS-NW-4519          
4'-pentyl-4-biphenylcarbonitrile
C18H19N             (Mass of molecular ion:    249)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       2.0
      29.0       3.1
      39.0       2.2
      41.0       3.0
      63.0       1.1
      77.0       1.1
     140.0       1.6
     151.0       1.0
     152.0       1.5
     153.0       1.1
     164.0       1.5
     165.0       5.6
     166.0       1.9
     177.0       3.7
     178.0       1.7
     179.0       2.5
     190.0       9.2
     191.0       3.8
     192.0     100.0
     193.0      23.6
     194.0       2.5
     205.0       1.4
     206.0       1.7
     249.0      36.8
     250.0       7.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₁₉ N	0.04 ml : 0.5 ml CDCl₃
4'-pentyl-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.65
      B             7.48
      C             7.27
      D             2.63
      E             1.65
      F             1.37
      G             1.28
      J             0.90

     Hz     ppm     Int.

    684.75   7.646   1000
    675.13   7.539     74
    673.06   7.516     32
    668.81   7.468     39
    666.69   7.445    180
    665.06   7.426     42
    654.44   7.308    142
    652.38   7.285     41
    646.69   7.221     56
    646.00   7.214     64
    244.38   2.729     31
    237.38   2.651     63
    229.56   2.564     55
    147.50   1.647     39
    125.25   1.399     78
    122.31   1.366     64
    120.13   1.342     58
    120.00   1.340     58
    118.13   1.320     75
    114.94   1.284     44
    114.63   1.280     43
    111.25   1.243     35
     86.13   0.962     46
     80.56   0.900    142
     74.63   0.834     35

in CDCl3