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Back ChemicalBook Home>CAS DataBase List>622-75-3More Spectrum> 1,4-Phenylenediacetonitrile(622-75-3) 1H NMR

622-75-3

1,4-Phenylenediacetonitrile(622-75-3) 1H NMR

Molecular FormulaC10H8N2

Molecular Weight156.18

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

InChIKey FUQCKESKNZBNOG-UHFFFAOYSA-N

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

  • 1,4-Phenylenediacetonitrile(622-75-3) <sup>1</sup>H NMR
    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

  • 1,4-Phenylenediacetonitrile(622-75-3) <sup>1</sup>H NMR

    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

  • 1,4-Phenylenediacetonitrile(622-75-3) <sup>1</sup>H NMR

KBr disc

  • 1,4-Phenylenediacetonitrile(622-75-3) <sup>1</sup>H NMR

nujol mull

  • 1,4-Phenylenediacetonitrile(622-75-3) <sup>1</sup>H NMR

  • 1,4-Phenylenediacetonitrile(622-75-3) <sup>1</sup>H NMR

1,4-Phenylenediacetonitrile(622-75-3) 1H NMR Atlas of Related Products

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