4-Nitrobenzaldoxime(1129-37-9) IR1

Product Name4-Nitrobenzaldoxime

CAS 1129-37-9

Molecular FormulaC7H6N2O3

Molecular Weight166.13

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

InChIKey WTLPAVBACRIHHC-UHFFFAOYSA-N

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

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Mass

MS-IW-0821          
p-nitrobenzaldehyde oxime
C7H6N2O3            (Mass of molecular ion:    166)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.1
      18.0       6.0
      27.0       1.5
      28.0       4.3
      30.0       5.4
      38.0       1.6
      39.0      11.9
      44.0       1.1
      50.0      13.4
      51.0       9.5
      52.0       3.0
      53.0       4.9
      62.0       2.2
      63.0       8.0
      64.0       5.1
      65.0      29.2
      66.0       2.6
      74.0       4.8
      75.0      21.2
      76.0      21.6
      77.0       8.8
      78.0       1.2
      80.0       1.0
      81.0       6.4
      89.0       2.8
      90.0       5.4
      91.0       5.2
      92.0       8.2
      93.0       7.0
     102.0      20.4
     103.0      13.1
     104.0       2.5
     109.0       1.1
     118.0       4.7
     119.0       8.8
     120.0       6.2
     123.0       2.0
     136.0      11.5
     137.0       1.0
     139.0       3.1
     148.0      10.2
     149.0       4.6
     150.0       5.6
     166.0     100.0
     167.0       9.4
     168.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ N₂ O₃	0.037 g : 0.5 ml DMSO-d₆
p-nitrobenzaldehyde oxime

    Assign.     Shift(ppm)

      A            11.9
      B             8.329
      C             8.267
      D             7.877

     Hz     ppm     Int.

   4753.72  11.895     96
   4753.35  11.894     96
   3329.05   8.330   1000
   3317.51   8.302     23
   3311.28   8.286    107
   3309.09   8.280    802
   3307.07   8.275    279
   3302.13   8.263    281
   3300.11   8.258    922
   3297.91   8.252    147
   3155.04   7.895    121
   3152.66   7.889    831
   3150.83   7.884    283
   3148.27   7.878     46
   3145.70   7.872    253
   3143.69   7.867    759
   3141.49   7.861    119

in DMSO-d6