501-65-5

二苯基乙炔(501-65-5)红外图谱(IR2)

产品名称:二苯基乙炔

CAS:501-65-5

分子式:C14H10

分子量: 178.23

InChI:InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H

InChIKey: JRXXLCKWQFKACW-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)#CC1=CC=CC=C1

Mass

MS-NW-2603          
diphenylacetylene
C14H10              (Mass of molecular ion:    178)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      39.0       1.1
      50.0       1.2
      51.0       1.5
      63.0       1.9
      74.0       1.6
      75.0       1.7
      76.0       4.6
      77.0       1.2
      87.0       1.3
      88.0       1.8
      89.0       4.3
      98.0       1.1
     102.0       1.3
     126.0       3.6
     139.0       2.3
     150.0       3.0
     151.0       6.1
     152.0       6.9
     175.0       1.3
     176.0      13.8
     177.0       9.1
     178.0     100.0
     179.0      15.2
     180.0       1.0

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₀	0.042 g : 0.5 ml CDCl₃
diphenylacetylene

    Assign.     Shift(ppm)

      A             7.51
      B          7.41 to 7.22

     Hz     ppm     Int.

    681.19   7.606     46
    679.56   7.588    304
    678.75   7.579    102
    677.94   7.570    211
    677.31   7.563    198
    676.00   7.549    534
    675.38   7.542    268
    674.38   7.530    346
    672.38   7.508    677
    671.31   7.496    457
    669.69   7.478    794
    668.81   7.468    274
    667.25   7.451    211
    666.31   7.440    185
    665.13   7.427    105
    664.50   7.420     75
    662.00   7.392    156
    661.19   7.383    178
    660.88   7.380    179
    660.25   7.373    374
    659.19   7.361    285
    657.94   7.347    985
    657.44   7.341    809
    656.81   7.334    520
    655.56   7.320    609
    654.31   7.306    934
    653.63   7.299    537
    652.56   7.287    268
    651.31   7.273   1000
    650.13   7.260    244
    648.25   7.239     49
    647.69   7.232     77

¹H NMR	300 MHz
C₁₄ H₁₀	0.13 M in CCl₄
diphenylacetylene

    Parameter     ppm  Hz

      D(A)         7.461
      D(B)         7.219
      D(C)         7.194
       J(A,A')         1.79
       J(A,B)          7.80
       J(A,B')         0.62
       J(A,C)          1.27
       J(A',B)         0.62
       J(A',B')        7.80
       J(A',C)         1.27
       J(B,B')         1.39
       J(B,C)          7.47
       J(B',C)         7.47
     
     CASTELLANO,S. & LORENC,J. J.PHYS.CHEM. 69, 3552 (1965)

     Hz     ppm     Int.

   2249.45   7.498     16
   2246.68   7.489     29
   2243.34   7.478    529
   2240.94   7.470    367
   2240.28   7.468    349
   2239.09   7.464    255
   2238.13   7.460    251
   2237.51   7.458    237
   2235.35   7.451    673
   2233.64   7.445    644
   2231.56   7.439     62
   2230.74   7.436     77
   2228.47   7.428     18
   2226.96   7.423     23
   2179.38   7.265     11
   2176.36   7.255     90
   2174.63   7.249     66
   2172.28   7.241    185
   2170.63   7.235    167
   2167.76   7.226    518
   2167.14   7.224    593
   2165.49   7.218    373
   2163.93   7.213    371
   2161.41   7.205   1000
   2159.90   7.200    945
   2156.95   7.190    209
   2154.87   7.183    118
   2150.21   7.167     35
   2148.47   7.162     35
   2146.90   7.156     15

in CDCl3