52709-83-8

4'-正丁基-4-氰基聯(lián)苯(52709-83-8)紅外圖譜(IR1)

產(chǎn)品名稱:4'-正丁基-4-氰基聯(lián)苯

CAS:52709-83-8

分子式:C17H17N

分子量: 235.32

InChI:InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3

InChIKey: PJPLBHHDTUICNN-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4517          
4'-butyl-4-biphenylcarbonitrile
C17H17N             (Mass of molecular ion:    235)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.9
      39.0       1.8
      41.0       1.3
      51.0       1.0
      63.0       1.3
      77.0       1.1
     140.0       1.7
     151.0       1.2
     152.0       1.6
     153.0       1.2
     164.0       1.8
     165.0       5.5
     166.0       1.8
     177.0       4.1
     178.0       1.7
     179.0       2.3
     190.0       9.8
     191.0       4.1
     192.0     100.0
     193.0      21.2
     194.0       2.1
     205.0       1.1
     206.0       1.4
     235.0      33.0
     236.0       6.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₁₇ N	0.044 g : 0.5 ml CDCl₃
4'-butyl-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.66
      B             7.48
      C             7.28
      D             2.65
      E             1.61
      F             1.38
      G             0.95

     Hz     ppm     Int.

    686.00   7.660   1000
    675.81   7.546     73
    673.75   7.523     31
    669.44   7.475     38
    667.38   7.452    176
    665.63   7.433     39
    655.13   7.315    137
    652.94   7.291     38
    647.88   7.235     55
    646.63   7.221     64
    245.56   2.742     30
    238.56   2.664     58
    230.88   2.578     51
    144.19   1.610     40
    139.56   1.559     39
    133.38   1.490     41
    127.56   1.425     30
    119.13   1.331     30
     90.69   1.013     77
     84.38   0.943    159
     76.88   0.859     32

in CDCl3