4-Nitrobiphenyl(92-93-3) 13C NMR
Product Name4-Nitrobiphenyl
CAS92-93-3
Molecular FormulaC12H9NO2
Molecular Weight199.21
InChIInChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey BAJQRLZAPXASRD-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C([N+]([O-])=O)C=C1
-
MassMS-NW-0227 4-nitrobiphenyl C12H9NO2 (Mass of molecular ion: 199)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
27.0 2.6 30.0 9.1 38.0 2.5 39.0 7.9 46.0 1.3 50.0 12.3 51.0 16.9 52.0 3.5 61.0 1.6 62.0 6.3 63.0 12.6 64.0 1.6 65.0 1.8 74.0 10.7 75.0 11.0 75.5 1.0 76.0 13.2 76.5 1.5 77.0 11.9 78.0 1.5 85.0 1.1 86.0 3.5 87.0 5.0 88.0 2.1 89.0 3.3 91.0 1.4 98.0 4.4 99.0 2.8 100.0 2.3 101.0 3.8 102.0 10.4 103.0 2.2 111.0 1.5 113.0 2.4 114.0 1.6 115.0 22.0 116.0 2.3 125.0 2.7 126.0 13.4 127.0 13.2 128.0 1.6 139.0 5.3 140.0 1.8 141.0 47.9 142.0 6.2 150.0 9.5 151.0 27.5 152.0 100.0 153.0 39.8 154.0 5.1 169.0 61.3 170.0 7.5 183.0 1.4 199.0 90.3 200.0 12.4 201.0 1.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C12 H9 N O2 0.049 g : 0.5 ml CDCl3 4-nitrobiphenyl 
Assign. Shift(ppm)
A 8.27 B 7.71 C 7.70 to 7.36
Hz ppm Int.748.00 8.352 70 745.63 8.326 720 743.50 8.302 239 738.75 8.249 254 736.56 8.225 991 734.19 8.198 140 697.31 7.786 133 695.00 7.761 1000 692.81 7.736 279 690.31 7.708 38 688.06 7.683 317 685.94 7.660 779 683.50 7.632 308 682.69 7.623 133 681.56 7.611 156 680.75 7.602 210 679.56 7.588 496 678.00 7.571 443 677.56 7.566 467 675.69 7.545 236 673.81 7.524 330 672.19 7.506 526 671.44 7.498 488 670.88 7.491 317 670.19 7.484 365 669.00 7.470 229 667.81 7.457 314 666.63 7.444 331 664.38 7.419 494 662.88 7.402 65 661.06 7.382 47
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
