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Back ChemicalBook Home>CAS DataBase List>613-12-7More Spectrum> 2-METHYLANTHRACENE(613-12-7) MS

2-METHYLANTHRACENE(613-12-7) MS

Product Name2-METHYLANTHRACENE

CAS613-12-7

Molecular FormulaC15H12

Molecular Weight192.26

InChIInChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3

InChIKey GYMFBYTZOGMSQJ-UHFFFAOYSA-N

SmilesC1=C2C(C=C3C(=C2)C=CC=C3)=CC=C1C


  • Mass

    MS-NW-3148          
    2-methylanthracene
    C15H12              (Mass of molecular ion:    192)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.3
          63.0       1.2
          69.5       1.5
          81.5       1.9
          82.0       1.6
          82.5       6.6
          83.0       1.6
          93.5       1.1
          94.0       1.3
          94.5       4.1
          95.0       2.3
          95.5       3.5
          96.0       6.5
          96.5       1.1
         139.0       1.0
         152.0       1.0
         163.0       2.0
         164.0       1.1
         165.0       6.2
         176.0       1.8
         187.0       1.5
         188.0       1.3
         189.0      13.3
         190.0       6.7
         191.0      27.8
         192.0     100.0
         193.0      16.3
         194.0       1.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C15 H12 11.3 mg : 0.5 ml CDCl3
    2-methylanthracene
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.363 B *1 8.300 C 7.97 D 7.900 E 7.737 F *2 7.43 G *2 7.42 J 7.296 K 2.535 J(D,J)=8.6HZ. J(J,E)=1.6HZ.

         Hz     ppm     Int.
    

       3342.41   8.364    284
       3317.14   8.301    284
       3192.14   7.988     36
       3190.19   7.983    104
       3189.09   7.980    247
       3185.42   7.971    136
       3184.33   7.968    140
       3183.11   7.965    142
       3179.32   7.956    262
       3161.74   7.912    174
       3153.08   7.890    186
       3092.04   7.737    212
       3091.67   7.736    210
       3091.06   7.735    197
       2980.10   7.457     33
       2978.03   7.452     59
       2973.51   7.441    221
       2971.80   7.437    332
       2967.77   7.426    381
       2963.75   7.416    309
       2962.16   7.412    208
       2957.52   7.401     55
       2955.57   7.396     32
       2920.90   7.309    152
       2919.19   7.305    155
       2912.11   7.287    146
       2910.52   7.283    142
       1013.43   2.536   1000
       1012.57   2.534    998
    

in CDCl3



KBr disc



nujol mull





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