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Back ChemicalBook Home>CAS DataBase List>626-22-2More Spectrum> 1,3-Phenylenediacetonitrile(626-22-2) IR1

626-22-2

1,3-Phenylenediacetonitrile(626-22-2) IR1

Molecular FormulaC10H8N2

Molecular Weight156.18

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

InChIKey GRPFZJNUYXIVSL-UHFFFAOYSA-N

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

  • 1,3-Phenylenediacetonitrile(626-22-2) IR1
    Mass

    MS-IW-0278          
    m-phenylenediacetonitrile
    C10H8N2             (Mass of molecular ion:    156)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.1
          38.0       1.4
          39.0       4.4
          50.0       3.3
          51.0       5.9
          52.0       1.6
          62.0       2.4
          63.0       5.6
          64.0       2.9
          64.5       1.1
          65.0       1.4
          74.0       1.2
          75.0       2.7
          76.0       2.9
          77.0       5.5
          78.0       1.5
          87.0       1.0
          88.0       1.6
          89.0      11.3
          90.0       2.0
          91.0       1.0
         101.0       4.2
         102.0       6.7
         103.0       5.5
         104.0       1.0
         116.0     100.0
         117.0       9.3
         127.0       1.7
         128.0       7.2
         129.0      13.7
         130.0      12.5
         131.0       1.5
         155.0       2.4
         156.0      34.7
         157.0       4.2
         164.0       2.9
         165.0       2.5
         166.0       1.4
         167.0       1.0
    

  • 1,3-Phenylenediacetonitrile(626-22-2) IR1

in CDCl3

  • 1,3-Phenylenediacetonitrile(626-22-2) IR1

KBr disc

  • 1,3-Phenylenediacetonitrile(626-22-2) IR1

nujol mull

  • 1,3-Phenylenediacetonitrile(626-22-2) IR1

  • 1,3-Phenylenediacetonitrile(626-22-2) IR1

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