Benzoyl peroxide(94-36-0) MS
Product NameBenzoyl peroxide
CAS94-36-0
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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MassMS-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
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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
KBr disc
nujol mull
4880 A,200 M,powder
