3,3'-DINITROBENZOPHENONE(21222-05-9) IR2
Product Name3,3'-DINITROBENZOPHENONE
CAS21222-05-9
Molecular FormulaC13H8N2O5
Molecular Weight272.21
InChIInChI=1S/C13H8N2O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H
InChIKey BSDKBWGNIJMCID-UHFFFAOYSA-N
SmilesC(C1=CC=CC([N+]([O-])=O)=C1)(C1=CC=CC([N+]([O-])=O)=C1)=O
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MassMS-NW-7050 3,3'-dinitrobenzophenone C13H8N2O5 (Mass of molecular ion: 272)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.3 30.0 1.5 39.0 1.1 50.0 8.0 51.0 1.5 63.0 3.2 64.0 2.1 74.0 2.7 75.0 7.8 76.0 27.5 77.0 2.4 92.0 4.4 104.0 27.6 105.0 2.4 122.0 2.2 139.0 1.9 140.0 1.1 150.0 100.0 151.0 10.8 152.0 5.3 168.0 2.5 180.0 2.0 255.0 1.3 272.0 35.0 273.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H8 N2 O5 0.047 g : 0.5 ml CDCl3 3,3'-dinitrobenzophenone 
Assign. Shift(ppm)
A 8.63 B 8.518 C 8.147 D 7.791
Hz ppm Int.774.56 8.649 519 772.88 8.630 1000 771.25 8.612 811 770.69 8.606 719 768.69 8.583 574 767.44 8.570 598 766.44 8.558 375 765.19 8.544 312 763.50 8.526 136 760.69 8.494 539 759.44 8.480 598 758.44 8.469 475 757.19 8.455 424 735.63 8.214 376 734.31 8.200 521 732.75 8.182 367 727.94 8.128 618 726.44 8.112 771 725.06 8.096 502 704.50 7.867 663 703.94 7.860 637 696.50 7.777 840 688.81 7.692 350 688.31 7.686 330
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
