2,2'-DINITROBIPHENYL(2436-96-6) MS
Product Name2,2'-DINITROBIPHENYL
CAS2436-96-6
Molecular FormulaC12H8N2O4
Molecular Weight244.2
InChIInChI=1S/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H
InChIKey QAFJHDNFUMKVIE-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2[N+]([O-])=O)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-0501 2,2'-dinitrobiphenyl C12H8N2O4 (Mass of molecular ion: 244)
Source Temperature: 210 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 1.5 28.0 1.3 30.0 3.2 38.0 1.2 39.0 10.1 50.0 4.5 51.0 7.1 52.0 2.8 53.0 1.0 62.0 3.3 63.0 10.6 64.0 4.3 65.0 2.8 74.0 4.5 75.0 5.9 76.0 5.6 77.0 5.4 78.0 5.4 79.0 3.0 86.0 2.1 87.0 3.7 88.0 3.2 89.0 7.4 90.0 3.7 91.0 1.0 92.0 1.7 98.0 1.6 99.0 1.6 101.0 3.1 102.0 4.0 103.0 1.1 104.0 1.5 113.0 4.4 114.0 6.6 115.0 27.7 116.0 10.8 117.0 1.2 125.0 1.0 126.0 3.7 127.0 5.7 128.0 3.4 129.0 1.1 130.0 1.8 138.0 1.1 139.0 33.8 140.0 9.2 141.0 11.1 142.0 10.5 143.0 1.6 150.0 2.3 151.0 2.0 152.0 2.6 153.0 1.9 154.0 1.1 155.0 1.1 168.0 34.8 169.0 5.9 170.0 8.6 171.0 1.2 182.0 3.0 198.0 100.0 199.0 14.1 200.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H8 N2 O4 0.040 g : 0.5 ml CDCl3 2,2'-dinitrobiphenyl 
Assign. Shift(ppm)
A 8.204 B *1 7.67 C *1 7.59 D 7.296
Hz ppm Int.739.94 8.262 399 738.25 8.244 331 736.88 8.228 306 735.19 8.209 89 732.50 8.179 475 730.44 8.156 546 697.75 7.791 106 695.88 7.770 173 690.31 7.708 498 688.50 7.688 488 686.38 7.664 586 684.06 7.639 1000 683.56 7.633 955 681.31 7.608 616 678.81 7.580 484 676.69 7.556 516 671.25 7.495 190 669.25 7.473 112 662.88 7.402 65 657.63 7.343 601 655.25 7.317 484 651.56 7.276 331 649.94 7.258 620 648.50 7.241 384
in CDCl3
KBr disc
nujol mull
