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Back ChemicalBook Home>CAS DataBase List>623-26-7More Spectrum> 1,4-Dicyanobenzene(623-26-7) 13C NMR

1,4-Dicyanobenzene(623-26-7) 13C NMR

Product Name1,4-Dicyanobenzene

CAS623-26-7

Molecular FormulaC8H4N2

Molecular Weight128.13

InChIInChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H

InChIKey BHXFKXOIODIUJO-UHFFFAOYSA-N

SmilesC1(C#N)=CC=C(C#N)C=C1


  • Mass

    MS-NW-1447          
    terephthalonitrile
    C8H4N2              (Mass of molecular ion:    128)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       1.6
          37.0       3.5
          38.0       1.7
          39.0       1.4
          49.0       1.5
          50.0      10.2
          51.0       4.1
          52.0       1.9
          61.0       1.1
          62.0       1.1
          63.0       1.9
          64.0       6.4
          74.0       2.7
          75.0       8.6
          76.0       6.2
          77.0       3.0
          88.0       1.7
          99.0       1.6
         100.0       3.4
         101.0      20.7
         102.0       3.0
         128.0     100.0
         129.0       9.4
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C8 H4 N2 0.044 g : 0.5 ml CDCl3
    terephthalonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.800

         Hz     ppm     Int.
    

       2340.00   7.800   1000
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



ANION RADICAL, RED. WITH ALKALI METAL IN DME-THF



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