4-Nitrobiphenyl(92-93-3) Raman

Product Name4-Nitrobiphenyl

CAS 92-93-3

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

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Mass

MS-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