2-NITROBENZALDOXIME(6635-41-2) ¹³C NMR

Product Name2-NITROBENZALDOXIME

CAS 6635-41-2

Molecular FormulaC7H6N2O3

Molecular Weight166.13

InChIInChI=1S/C7H6N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-5,10H

InChIKey IHMGDCCTWRRUDX-UHFFFAOYSA-N

SmilesC(=NO)C1=CC=CC=C1[N+]([O-])=O

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Mass

MS-NW-9889          
o-nitrobenzaldehyde oxime
C7H6N2O3            (Mass of molecular ion:    166)

   Source Temperature: 190 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       2.2
      18.0      12.1
      27.0       3.7
      28.0       6.2
      29.0       1.3
      30.0       7.7
      37.0       1.9
      38.0       3.7
      39.0      22.6
      40.0       1.4
      41.0       2.9
      44.0       1.4
      50.0      18.6
      51.0      22.8
      52.0      11.8
      53.0       4.4
      61.0       1.2
      62.0       4.1
      63.0      14.1
      64.0      15.4
      65.0      36.0
      66.0       3.5
      74.0       4.8
      75.0      12.6
      76.0      25.7
      77.0      16.0
      78.0      21.1
      79.0      19.5
      80.0       2.5
      88.0       1.8
      89.0       4.3
      90.0      10.0
      91.0      25.0
      92.0      12.0
      93.0       3.9
     102.0      18.9
     103.0       7.8
     104.0       6.7
     105.0       6.6
     107.0       1.3
     118.0       2.5
     119.0       4.7
     132.0       2.7
     134.0       5.0
     135.0     100.0
     136.0      16.2
     137.0       1.4
     148.0       3.0
     149.0       4.1
     166.0      15.3
     167.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ N₂ O₃	0.031 g : 0.5 ml CDCl₃
o-nitrobenzaldehyde oxime

    Assign.     Shift(ppm)

      A             8.70
      B             8.697
      C             8.079
      D             7.902
      E             7.666
      F             7.574

     Hz     ppm     Int.

   3475.95   8.698   1000
   3233.15   8.090    441
   3232.18   8.088    414
   3231.81   8.087    430
   3224.98   8.070    484
   3223.63   8.067    464
   3163.57   7.916    366
   3162.11   7.913    377
   3155.76   7.897    438
   3154.30   7.893    436
   3072.51   7.689    181
   3072.02   7.687    205
   3071.29   7.685    209
   3070.68   7.684    197
   3068.12   7.678     38
   3064.58   7.669    399
   3063.84   7.667    376
   3063.35   7.666    387
   3057.37   7.651    222
   3056.76   7.649    252
   3056.03   7.647    234
   3055.42   7.646    223
   3034.67   7.594    318
   3033.20   7.590    319
   3027.22   7.575    295
   3026.49   7.573    369
   3026.00   7.572    336
   3025.15   7.570    345
   3021.48   7.561     44
   3019.04   7.555    210
   3017.58   7.551    197

in CDCl3