Benzophenone(119-61-9) MS
Product NameBenzophenone
CAS119-61-9
Molecular FormulaC13H10O
Molecular Weight182.22
InChIInChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey RWCCWEUUXYIKHB-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(C1=CC=CC=C1)=O
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MassMS-NW-1979 benzophenone C13H10O (Mass of molecular ion: 182)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 1.1 50.0 4.0 51.0 14.4 74.0 1.2 75.0 1.0 76.0 2.8 77.0 47.4 78.0 3.1 105.0 100.0 106.0 7.3 152.0 2.1 153.0 1.4 154.0 1.7 181.0 5.6 182.0 50.1 183.0 7.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H10 O 0.044 g : 0.5 ml CDCl3 benzophenone 
Assign. Shift(ppm)
A 7.790 B 7.57 C 7.46
Hz ppm Int.706.13 7.885 39 703.31 7.853 368 701.63 7.835 450 699.94 7.816 213 699.00 7.805 167 698.06 7.795 162 696.25 7.775 430 695.88 7.770 421 693.81 7.747 656 692.44 7.732 139 688.81 7.692 42 686.94 7.671 54 685.25 7.652 66 684.31 7.641 36 683.31 7.630 38 680.19 7.595 150 679.13 7.583 224 675.69 7.545 344 673.75 7.523 1000 671.75 7.501 351 670.31 7.485 200 668.25 7.462 227 667.06 7.449 303 666.38 7.441 396 664.38 7.419 78 663.81 7.412 75 662.50 7.398 76 660.88 7.380 119 659.69 7.366 59 657.75 7.345 83
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
REACTION WITH TRIPHENYLSILANE
ANION RADICAL, ELECTROLYTIC REDUCTION IN ACETONITRILE
ANION RADICAL, REDUCTION WITH K METAL IN DME
ANION RADICAL, RED. WITH (CH3)3SIK IN N-HEXANE
ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF
ANION RADICAL, REDUCTION WITH NA METAL IN DME
ANION RADICAL, REDUCTION WITH LI IN DMF
ANION RADICAL, PHOTOLYSIS, IN ETHANOL-NAOCH3
