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622-75-3

1,4-苯二乙腈(622-75-3)紅外圖譜(IR1)

產(chǎn)品名稱:1,4-苯二乙腈

CAS:622-75-3

分子式:C10H8N2

分子量: 156.18

InChI:InChI=1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2

InChIKey: FUQCKESKNZBNOG-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-7859          
p-phenylenediacetonitrile
C10H8N2             (Mass of molecular ion:    156)


       Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          27.0       1.1
      28.0       1.0
      38.0       1.0
      39.0       4.4
      50.0       3.3
      51.0       5.6
      52.0       1.8
      62.0       2.1
      63.0       5.8
      64.0       2.8
      65.0       1.5
      74.0       1.1
      75.0       2.8
      76.0       3.1
      77.0       4.9
      78.0       1.6
      87.0       1.0
      88.0       1.9
      89.0       9.3
      90.0       2.1
     101.0       3.3
     102.0       4.6
     103.0       3.1
     116.0     100.0
     117.0       9.6
     127.0       1.6
     128.0       4.6
     129.0       5.6
     130.0       2.1
     155.0       2.7
     156.0      25.8
     157.0       3.2

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C10 H8 N2 0.05 ml : 0.5 ml CDCl3
    p-phenylenediacetonitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.349
      B             3.759
  

         Hz     ppm     Int.


        658.25   7.350   1000
    652.56   7.287     25
    652.00   7.281     24
    336.75   3.761    947

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

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