1，4-二苯基丁二炔(886-66-8)質(zhì)譜(MS)

產(chǎn)品名稱:1，4-二苯基丁二炔

CAS:886-66-8

分子式:C16H10

分子量: 202.25

InChI:InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H

InChIKey: HMQFJYLWNWIYKQ-UHFFFAOYSA-N

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

Mass

MS-NW-8912          
1,4-diphenylbutadiyne
C16H10              (Mass of molecular ion:    202)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.3
      31.0       2.3
      45.0       1.4
      63.0       1.0
      74.0       1.3
      75.0       2.2
      76.0       1.3
      87.0       1.8
      88.0       5.0
      98.0       1.7
     100.0       2.8
     101.0       7.1
     101.5       1.2
     126.0       2.0
     150.0       4.7
     151.0       1.6
     152.0       1.4
     161.0       1.0
     162.0       1.3
     163.0       1.5
     174.0       2.6
     175.0       2.5
     176.0       3.0
     199.0       1.8
     200.0      19.8
     201.0      10.9
     202.0     100.0
     203.0      17.2
     204.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₀	0.037 g : 0.5 ml CDCl₃
1,4-diphenylbutadiyne

    Assign.     Shift(ppm)

      A             7.523
      B             7.36
      C             7.33

     Hz     ppm     Int.

   3014.28   7.543     82
   3011.72   7.536    648
   3010.13   7.532    757
   3008.67   7.529    313
   3008.06   7.527    303
   3006.10   7.522    263
   3003.91   7.517    734
   3002.08   7.512    887
   2951.29   7.385     41
   2949.71   7.381     96
   2948.12   7.377     75
   2946.90   7.374     56
   2942.63   7.364    285
   2941.77   7.361    338
   2939.21   7.355    193
   2937.38   7.350    426
   2935.67   7.346    787
   2934.57   7.343    811
   2933.96   7.342   1000
   2932.37   7.338    450
   2929.57   7.331    282
   2928.22   7.327    401
   2926.76   7.324    750
   2925.17   7.320    191
   2924.19   7.317    149
   2922.12   7.312    144
   2920.65   7.309    237
   2919.56   7.306    141
   2917.85   7.302    193

in CDCl3