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3457-48-5

4,4'-二甲基联苯甲酰(3457-48-5)质谱(MS)

分子式:C16H14O2

分子量: 238.28

InChI:InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey: BCWCEHMHCDCJAD-UHFFFAOYSA-N

Smiles:C(C1=CC=C(C)C=C1)(=O)C(C1=CC=C(C)C=C1)=O

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    Mass

    MS-NW-9348          
    4,4'-dimethylbenzil
    C16H14O2            (Mass of molecular ion:    238)
    

       Source Temperature: 180 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.0
          39.0       1.9
          63.0       1.0
          65.0       7.8
          89.0       1.1
          91.0      23.8
          92.0       1.8
         119.0     100.0
         120.0       8.8
         238.0       5.7
         239.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C16 H14 O2 0.036 g : 0.5 ml CDCl3
    4,4'-dimethylbenzil
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.859 B 7.297 C 2.426

         Hz     ppm     Int.
    

       3146.97   7.875     78
       3145.26   7.871    370
       3143.55   7.866    123
       3138.67   7.854    145
       3137.08   7.850    387
       3135.25   7.845     64
       2922.61   7.313     68
       2920.90   7.309    285
       2920.29   7.308    318
       2918.21   7.302     96
       2916.50   7.298     31
       2914.31   7.293    105
       2912.84   7.289    210
       2912.35   7.288    300
       2911.62   7.286    250
       2909.91   7.282     45
        969.73   2.427   1000
    

in CDCl3

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KBr disc

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nujol mull

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