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2-Nitrobenzaldehyde

Product Name 2-Nitrobenzaldehyde

CAS552-89-6

MFC7H5NO3

MW151.12

¹³CNMR

Mass

MS-NW-7213          
o-nitrobenzaldehyde
C7H5NO3             (Mass of molecular ion:    151)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.8
      28.0       3.8
      29.0       4.4
      30.0       7.0
      37.0       4.3
      38.0       5.1
      39.0      24.9
      40.0       1.1
      49.0       2.5
      50.0      34.5
      51.0      54.3
      52.0       6.5
      53.0       4.1
      61.0       2.1
      62.0       2.7
      63.0       4.9
      64.0       3.9
      65.0      77.1
      66.0       4.6
      73.0       2.2
      74.0      10.9
      75.0      10.2
      76.0      45.2
      77.0      24.8
      78.0       2.8
      79.0       1.3
      91.0       1.0
      92.0       1.9
      93.0      56.3
      94.0       4.0
     104.0      27.2
     105.0       3.4
     121.0     100.0
     122.0       8.3
     134.0       2.1

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₇ H₅ N O₃	10 wt% in CCl₄
o-nitrobenzaldehyde

    Parameter     ppm  Hz

      D(A)         8.15
      D(B)         7.75
      D(C)         7.78
      D(D)         7.88
      D(E)        10.03
       J(A,B)          8.18
       J(A,C)          1.15
       J(A,D)          0.45
       J(A,E)          0.30
       J(B,C)          7.44
       J(B,D)          1.49
       J(B,E)          0.0
       J(C,D)          7.69
       J(C,E)          0.30
       J(D,E)          0.0
     
     SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972)
     THE VALUES OF J(A,E) AND J(C,E) ARE OBTAINED FROM :
     CONTRERAS,R.H. ET AL. ORG.MAGN.RESON. 12, 542 (1979)

     Hz     ppm     Int.

   3009.02  10.030   1000
   2454.36   8.181     12
   2449.77   8.166    215
   2448.32   8.161    149
   2447.01   8.157    127
   2442.67   8.142    240
   2440.50   8.135    249
   2435.35   8.118     19
   2369.03   7.897    168
   2366.79   7.889    196
   2362.95   7.876    176
   2361.60   7.872    209
   2360.04   7.867    299
   2355.39   7.851     26
   2343.09   7.810     70
   2341.35   7.804    109
   2335.72   7.786    298
   2333.98   7.780    286
   2331.94   7.773    315
   2329.18   7.764    502
   2326.68   7.756    197
   2324.38   7.748    280
   2322.42   7.741    231
   2316.99   7.723     84
   2315.06   7.717     60

¹H NMR	89.56 MHz
C₇ H₅ N O₃	0.043 g : 0.5 ml CDCl₃
o-nitrobenzaldehyde

    Assign.     Shift(ppm)

      A            10.422
      B             8.12
      C             7.96
      D             7.81
      E             7.78

     Hz     ppm     Int.

    933.47  10.423   1000
    732.71   8.182    132
    732.28   8.177    137
    730.08   8.152     95
    727.66   8.125    181
    726.27   8.110    140
    723.49   8.079    230
    722.97   8.073    241
    719.82   8.038     59
    718.58   8.024    114
    718.14   8.019    114
    715.36   7.988    107
    713.96   7.972    178
    711.33   7.943    205
    709.13   7.918    400
    708.62   7.913    327
    707.01   7.895    124
    706.49   7.889    132
    706.05   7.884    125
    704.74   7.869    125
    703.93   7.860     53
    702.17   7.841    435
    701.66   7.835    504
    699.98   7.816    229
    699.39   7.810    222
    697.63   7.790    288
    697.12   7.784    203
    696.75   7.780    169
    695.14   7.762    291
    692.43   7.732    280

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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