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Back ChemicalBook Home>CAS DataBase List>571-58-4More Spectrum> 1,4-DIMETHYLNAPHTHALENE(571-58-4) IR1

1,4-DIMETHYLNAPHTHALENE(571-58-4) IR1

Molecular FormulaC12H12

Molecular Weight156.22

InChIInChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3

InChIKey APQSQLNWAIULLK-UHFFFAOYSA-N

SmilesC1(C)=C2C(C=CC=C2)=C(C)C=C1


  • Mass

    MS-NW-5165          
    1,4-dimethylnaphthalene
    C12H12              (Mass of molecular ion:    156)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       1.6
          39.0       2.9
          50.0       2.0
          51.0       5.3
          57.5       1.9
          62.0       1.6
          63.0       5.0
          64.0       3.5
          65.0       1.2
          70.5       3.5
          74.0       1.9
          75.0       2.4
          76.0       6.3
          76.5       1.4
          77.0       7.1
          78.0       3.9
          87.0       1.1
          89.0       1.7
         102.0       1.5
         115.0      13.2
         116.0       1.8
         126.0       1.4
         127.0       5.4
         128.0       9.0
         129.0       4.6
         139.0       4.7
         140.0       1.2
         141.0      76.9
         142.0       9.5
         147.0       1.3
         151.0       2.3
         152.0       7.6
         153.0       8.6
         154.0       4.1
         155.0      22.7
         156.0     100.0
         157.0      13.1
         161.0       1.2
         162.0       2.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C12 H12 0.04 ml : 0.5 ml CDCl3
    1,4-dimethylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.974 B 7.497 C 7.177 D 2.637

         Hz     ppm     Int.
    

        720.00   8.040     87
        716.69   8.003     87
        713.81   7.971     64
        713.31   7.965     62
        710.25   7.931    130
        675.69   7.545    126
        672.63   7.511     67
        669.25   7.473     85
        665.94   7.436     85
        642.88   7.179    259
        236.19   2.638   1000
    

in CDCl3



liquid film





CATION RADICAL, OXIDATION WITH SBCL5

CATION RADICAL, OXIDATION WITH SBCL5-CH2CL2-SO2





1,4-DIMETHYLNAPHTHALENE(571-58-4) IR1 Atlas of Related Products

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