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Back ChemicalBook Home>CAS DataBase List>586-96-9More Spectrum> Nitrosobenzene(586-96-9) IR2

Nitrosobenzene(586-96-9) IR2

Product NameNitrosobenzene

CAS586-96-9

Molecular FormulaC6H5NO

Molecular Weight107.11

InChIInChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H

InChIKey NLRKCXQQSUWLCH-UHFFFAOYSA-N

SmilesC1(N=O)=CC=CC=C1

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C6 H5 N O 0.040 g : 0.5 ml CDCl3
    nitrosobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.907 B 7.20 to 7.75

         Hz     ppm     Int.
    

        711.81   7.948    343
        709.88   7.927    419
        708.19   7.908    240
        707.19   7.897    232
        706.81   7.893    229
        704.56   7.867    490
        702.06   7.839    782
        700.50   7.822    203
        698.25   7.797    118
        696.25   7.775     79
        691.50   7.722    174
        690.50   7.710    241
        688.63   7.690    194
        687.31   7.675    546
        685.94   7.660   1000
        684.00   7.638    495
        683.06   7.627    398
        680.44   7.598    292
        678.63   7.578    460
        676.56   7.555    164
        675.13   7.539    137
        673.56   7.521    162
        672.00   7.504    112
        670.06   7.482    118
    


  • 1H NMR 300 MHz
    C6 H5 N O 10 wt% in CCl4
    nitrosobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.813 D(B) 7.547 D(C) 7.610 J(A,A') 1.97 J(A,B) 7.91 J(A,B') 0.56 J(A,C) 1.28 J(A',B) 0.56 J(A',B') 7.91 J(A',C) 1.28 J(B,B') 1.36 J(B,C) 7.41 J(B',C) 7.41 CASTELLANO,S. ET AL. TETRAHEDRON LETT. 1967, 5205

         Hz     ppm     Int.
    

       2351.34   7.838     77
       2348.94   7.830    582
       2347.57   7.825    715
       2345.96   7.820    385
       2342.96   7.810    255
       2340.82   7.803   1000
       2339.20   7.797    726
       2292.99   7.643     61
       2291.56   7.639    123
       2290.11   7.634     79
       2287.54   7.625     89
       2284.29   7.614    443
       2281.70   7.606    148
       2278.82   7.596    318
       2277.27   7.591    532
       2275.67   7.586    252
       2272.81   7.576    151
       2271.18   7.571    589
       2270.45   7.568    845
       2269.06   7.564    377
       2264.99   7.550    387
       2264.48   7.548    391
       2263.10   7.544    848
       2261.33   7.538    187
       2257.89   7.526    140
       2256.22   7.521    289
       2254.57   7.515    182
    

in CDCl3



KBr disc



nujol mull





ANION RADICAL, ELECTROLYTIC REDUCTION IN CH3CN

OXIDATION WITH AIBN IN TOLUENE

OXID. OF PHENOL

ANION RADICAL, ELECTRORED. IN LIQ. NH3

OXIDATION WITH AIBN IN BENZENE

CATION RADICAL, ELECTROLYSIS IN CH3CN-CH3NO2

ANION RADICAL, REACTION WITH (C6H5)NH(OH)















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