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Back ChemicalBook Home>CAS DataBase List>2113-58-8More Spectrum> 3-NITROBIPHENYL(2113-58-8) IR1

3-NITROBIPHENYL(2113-58-8) IR1

Product Name3-NITROBIPHENYL

CAS2113-58-8

Molecular FormulaC12H9NO2

Molecular Weight199.21

InChIInChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

InChIKey FYRPEHRWMVMHQM-UHFFFAOYSA-N

SmilesC1(C2=CC=CC=C2)=CC=CC([N+]([O-])=O)=C1


  • Mass

    MS-KW-0498          
    3-nitrobiphenyl
    C12H9NO2            (Mass of molecular ion:    199)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.0
          39.0       2.4
          41.0       1.2
          43.0       1.5
          50.0       3.0
          51.0       5.8
          52.0       1.0
          56.0       1.0
          57.0       2.1
          62.0       1.5
          63.0       6.5
          65.0       1.2
          74.0       2.8
          75.0       4.9
          75.5       3.7
          76.0      18.6
          76.5       4.3
          77.0       6.4
          86.0       1.1
          87.0       1.3
          99.5       2.1
         101.0       1.8
         102.0       2.6
         115.0       3.7
         126.0       4.6
         127.0       7.2
         139.0       1.4
         141.0       8.0
         142.0       1.1
         150.0       4.9
         151.0      20.1
         152.0      80.8
         153.0      70.9
         154.0       9.1
         169.0       3.2
         199.0     100.0
         200.0      13.7
         201.0       1.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C12 H9 N O2 0.048 g : 0.5 ml CDCl3
    3-nitrobiphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.420 B 8.166 C 7.881 D 7.58 E 7.55 to 7.44

         Hz     ppm     Int.
    

        756.50   8.447    272
        756.06   8.442    322
        754.25   8.422    625
        752.44   8.402    393
        752.06   8.398    404
        737.56   8.236    244
        736.38   8.223    286
        735.31   8.211    223
        734.06   8.197    219
        729.56   8.147    297
        728.31   8.133    358
        727.31   8.121    289
        726.06   8.107    302
        712.25   7.953    208
        711.00   7.939    258
        710.50   7.934    243
        709.25   7.920    233
        704.50   7.867    395
        703.25   7.853    374
        702.75   7.847    463
        701.50   7.833    336
        687.06   7.672    219
        686.13   7.662    501
        685.63   7.656    649
        683.25   7.629    311
        682.13   7.617    385
        680.69   7.601    268
        679.38   7.586    317
        678.44   7.576    962
        676.63   7.556   1000
        674.88   7.536    396
        674.06   7.527    414
        672.81   7.513    512
        671.00   7.493    747
        670.25   7.484    981
        668.56   7.465    560
        667.94   7.459    452
        666.31   7.440    485
        665.25   7.428    773
        663.06   7.404    815
        661.75   7.389    172
    

in CDCl3



CCl4 solution



KBr disc



3-NITROBIPHENYL(2113-58-8) IR1 Atlas of Related Products

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