94-36-0

Benzoyl peroxide(94-36-0) Raman

Product NameBenzoyl peroxide

CAS 94-36-0

Molecular FormulaC14H10O4

Molecular Weight242.23

InChIInChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

InChIKey OMPJBNCRMGITSC-UHFFFAOYSA-N

SmilesO(C(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1

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Benzoyl peroxide(94-36-0) Raman
Mass

MS-NW-0403          
dibenzoyl peroxide
C14H10O4            (Mass of molecular ion:    242)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.1
      44.0       1.9
      50.0       3.3
      51.0      10.0
      76.0       1.1
      77.0      27.4
      78.0       2.3
     105.0     100.0
     106.0       7.7
     122.0       9.2
     198.0       1.0
     226.0       1.0
     242.0       5.1

90 MHz in CDCl3

Benzoyl peroxide(94-36-0) Raman

¹H NMR	89.56 MHz
C₁₄ H₁₀ O₄	0.045 g : 0.5 ml CDCl₃
dibenzoyl peroxide

    Assign.     Shift(ppm)

      A             8.065
      B             7.65
      C             7.50
     
     B AND C WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    730.50   8.157     63
    727.94   8.128    476
    726.44   8.112    603
    724.88   8.094    318
    722.25   8.065    246
    720.19   8.042    709
    718.25   8.020    761
    695.25   7.763     39
    693.81   7.747     82
    692.19   7.729     71
    690.94   7.715     59
    686.06   7.661    302
    683.31   7.630    166
    681.50   7.610    362
    679.75   7.590    653
    677.75   7.568   1000
    676.25   7.551    428
    673.13   7.516    266
    671.81   7.502    356
    670.38   7.486    660
    665.69   7.433    121
    664.13   7.416    188
    661.56   7.387    141

in CDCl3