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Back ChemicalBook Home>CAS DataBase List>829-26-5More Spectrum> 2,3,6-TRIMETHYLNAPHTHALENE(829-26-5) 13C NMR

2,3,6-TRIMETHYLNAPHTHALENE(829-26-5) 13C NMR

Molecular FormulaC13H14

Molecular Weight170.25

InChIInChI=1S/C13H14/c1-9-4-5-12-7-10(2)11(3)8-13(12)6-9/h4-8H,1-3H3

InChIKey UNBZRJCHIWTUHB-UHFFFAOYSA-N

SmilesC1=C2C(C=C(C)C=C2)=CC(C)=C1C


  • Mass

    MS-NW-6143          
    2,3,6-trimethylnaphthalene
    C13H14              (Mass of molecular ion:    170)
    

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

          39.0       1.6
          51.0       2.4
          57.5       1.1
          63.0       2.7
          64.0       2.1
          69.5       1.1
          70.0       1.1
          70.5       1.2
          71.0       1.8
          75.0       1.1
          76.0       3.5
          76.5       1.1
          77.0       3.5
          77.5       1.1
          82.0       1.8
          82.5       1.7
          83.0       2.2
          84.0       3.4
          85.0       3.1
         115.0       4.7
         127.0       2.9
         128.0       6.2
         129.0       3.7
         139.0       2.8
         141.0       3.1
         142.0       1.3
         151.0       2.0
         152.0       8.2
         153.0      11.3
         154.0       5.6
         155.0      58.2
         156.0       8.2
         165.0       2.7
         167.0       1.8
         168.0       1.4
         169.0      17.5
         170.0     100.0
         171.0      14.4
         172.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H14 11.3 mg : 0.5 ml CDCl3
    2,3,6-trimethylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.615 B 7.532 C 7.491 D 7.482 E 7.208 F 2.471 G 2.40 J(A,E)=8.3HZ. J(E,D)=1.6HZ.

         Hz     ppm     Int.
    

       3047.73   7.626    113
       3039.43   7.606    125
       3010.13   7.532    165
       2993.77   7.491    175
       2990.11   7.482    146
       2885.38   7.220     90
       2883.67   7.216     86
       2876.95   7.199     81
       2875.37   7.195     76
        987.79   2.472    685
        958.13   2.398   1000
        949.58   2.377     26
        948.85   2.375     22
    

in CDCl3



2,3,6-TRIMETHYLNAPHTHALENE(829-26-5) 13C NMR Atlas of Related Products

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