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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>1849-27-0更多圖譜> 1,4-雙(苯乙炔基)苯(1849-27-0)質(zhì)譜(MS)

1849-27-0

1,4-雙(苯乙炔基)苯(1849-27-0)質(zhì)譜(MS)

產(chǎn)品名稱:1,4-雙(苯乙炔基)苯

CAS:1849-27-0

分子式:C22H14

分子量: 278.35

InChI:InChI=1S/C22H14/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10,15-18H

InChIKey: FPVSTPLZJLYNMB-UHFFFAOYSA-N

Smiles:C1(C#CC2=CC=CC=C2)=CC=C(C#CC2=CC=CC=C2)C=C1

  • 圖譜
    Mass 

    MS-IW-5981          
p-bis(phenylethynyl)benzene
C22H14              (Mass of molecular ion:    278)


       Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV


         112.0       1.1
     113.0       2.1
     125.0       2.3
     126.0       1.2
     137.0       1.7
     138.0       4.7
     138.5       1.2
     139.0      15.1
     139.5       3.6
     250.0       1.4
     274.0       5.1
     275.0       3.0
     276.0      14.9
     277.0       3.9
     278.0     100.0
     279.0      24.0
     280.0       3.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C22 H14 ca 1 mg : 0.5 ml CDCl3
    p-bis(phenylethynyl)benzene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.54
      B             7.515
      C             7.36
  

         Hz     ppm     Int.


       3018.80   7.554    121
   3017.82   7.552     82
   3016.72   7.549     73
   3015.63   7.546     95
   3014.40   7.543    133
   3012.57   7.539     52
   3011.11   7.535    171
   3009.16   7.530    165
   3003.30   7.515   1000
   2948.73   7.379     61
   2947.39   7.375     39
   2946.41   7.373     47
   2944.70   7.369    161
   2942.87   7.364    187
   2939.82   7.356    279
   2937.74   7.351    309
   2935.30   7.345     39

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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