4,4'-DIMETHYLBENZIL(3457-48-5) IR1

Product Name4,4'-DIMETHYLBENZIL

CAS 3457-48-5

Molecular FormulaC16H14O2

Molecular Weight238.28

InChIInChI=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

SmilesC(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

¹H NMR	399.65 MHz
C₁₆ H₁₄ O₂	0.036 g : 0.5 ml CDCl₃
4,4'-dimethylbenzil

    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