SpectrumDetail Supplier Related Products
WebSite > CAS DataBase List >  619-72-7More Spectrum > 4-Nitrobenzonitrile(619-72-7)13CNMR

619-72-7

4-Nitrobenzonitrile

Product Name 4-Nitrobenzonitrile

CAS619-72-7

MFC7H4N2O2

MW148.12

More

  • 619-72-7_ms
    Mass

    MS-NW-4610          
    p-nitrobenzonitrile
    C7H4N2O2            (Mass of molecular ion:    148)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       3.5
          28.0       1.4
          30.0      31.3
          37.0       3.8
          38.0       3.4
          39.0       4.3
          49.0       2.2
          50.0      14.8
          51.0      20.3
          52.0       4.7
          61.0       1.4
          62.0       2.6
          63.0       5.0
          64.0       4.0
          73.0       1.6
          74.0       5.9
          75.0      30.1
          76.0      18.4
          77.0       1.3
          90.0      22.9
          91.0       1.9
          99.0       1.8
         100.0       1.4
         101.0       1.2
         102.0     100.0
         103.0       8.1
         118.0       8.3
         132.0       1.9
         148.0      44.4
         149.0       4.0
    

parameter in acetone

90 MHz in CDCl3

  • 619-72-7_1hnmr

    1H NMR 300 MHz
    C7 H4 N2 O2 5 mol% in acetone
    p-nitrobenzonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.15 D(B) 8.45 J(A,A') 2.7 J(A,B) 8.6 J(A,B') 0.4 J(A',B) 0.4 J(A',B') 8.6 J(B,B') 1.7 DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)

         Hz     ppm     Int.
    

       2542.04   8.473    109
       2539.72   8.466    827
       2537.69   8.459    301
       2532.76   8.443    335
       2530.69   8.436    999
       2528.41   8.428    144
       2451.59   8.172    144
       2449.32   8.164   1000
       2447.24   8.157    334
       2442.32   8.141    301
       2440.28   8.134    827
       2437.96   8.127    109
    

  • 619-72-7_1hnmr_2

    1H NMR 89.56 MHz
    C7 H4 N2 O2 0.048 g : 0.5 ml CDCl3
    p-nitrobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.369 B 7.923

         Hz     ppm     Int.
    

        756.88   8.452     73
        754.81   8.428    617
        752.75   8.405    211
        750.25   8.378     25
        747.94   8.352    243
        745.81   8.328    901
        743.81   8.306    148
        715.19   7.986    141
        713.25   7.964   1000
        711.06   7.940    270
        709.00   7.917     27
        706.25   7.886    214
        704.19   7.863    633
        702.13   7.840     85
    

in CDCl3

  • 619-72-7_13cnmr

CCl4 solution

  • 619-72-7_ir1_3

KBr disc

  • 619-72-7_ir2_2

nujol mull

  • 619-72-7_ir3

4880 A,200 M,powder

  • 619-72-7_raman

REACTION WITH TERT-BUTYL-MGCL

ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF

ANION RADICAL(13C), ELECTRORED. IN DMF

  • 619-72-7_esr_0

  • 619-72-7_esr_2

  • 619-72-7_esr_3