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Back ChemicalBook Home>CAS DataBase List>208-96-8More Spectrum> ACENAPHTHYLENE(208-96-8) IR2

ACENAPHTHYLENE(208-96-8) IR2

Product NameACENAPHTHYLENE

CAS208-96-8

Molecular FormulaC12H8

Molecular Weight152.19

InChIInChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

InChIKey HXGDTGSAIMULJN-UHFFFAOYSA-N

SmilesC1C2C3=C(C=CC=2)C=CC=C3C=1


  • Mass

    MS-NW-6148          
    acenaphthylene
    C12H8               (Mass of molecular ion:    152)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       2.6
          50.0       1.5
          51.0       1.5
          62.0       1.5
          63.0       4.8
          74.0       2.6
          75.0       4.5
          75.5       1.5
          76.0      10.2
          76.5       1.4
          77.0       1.0
          87.0       1.1
          98.0       1.3
          99.0       1.2
         125.0       1.1
         126.0       2.8
         150.0       8.9
         151.0      13.8
         152.0     100.0
         153.0      15.3
         154.0       4.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H8 14.9 mg : 0.5 ml CDCl3
    acenaphthylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.796 B 7.676 C 7.535 D 7.072

         Hz     ppm     Int.
    

       3120.24   7.808    245
       3119.63   7.806    233
       3111.94   7.787    277
       3111.45   7.786    278
       3071.66   7.686    240
       3071.04   7.685    229
       3064.70   7.669    314
       3064.09   7.667    275
       3018.07   7.552    273
       3011.11   7.535    254
       3009.77   7.532    283
       3002.93   7.514    174
       2826.54   7.073   1000
    

in CDCl3



KBr disc



nujol mull





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