3-[(p-nitrophenyl)hydrazono]butan-2-one oxime (62454-83-5) IR2

Product Name3-[(p-nitrophenyl)hydrazono]butan-2-one oxime

CAS 62454-83-5

Molecular FormulaC10H12N4O3

Molecular Weight236.23

InChIInChI=1S/C10H12N4O3/c1-7(8(2)13-15)11-12-9-3-5-10(6-4-9)14(16)17/h3-6,12,15H,1-2H3

InChIKey FOJBDPWRVOUZOL-UHFFFAOYSA-N

SmilesCC(=NNC1=CC=C([N+]([O-])=O)C=C1)C(=NO)C

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Mass

MS-NW-6908          
biacetyl mono(p-nitrophenylhydrazone) monooxime
C10H12N4O3          (Mass of molecular ion:    236)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0      15.4
      17.0       2.4
      18.0       9.7
      26.0       1.8
      27.0       7.9
      28.0       9.5
      29.0       1.6
      30.0      74.7
      31.0       4.9
      37.0       1.6
      38.0       6.4
      39.0      13.3
      40.0       6.4
      41.0      14.9
      42.0      44.8
      43.0       8.4
      44.0       3.0
      50.0       8.1
      51.0       6.6
      52.0      11.2
      53.0       7.7
      54.0       4.0
      55.0       2.5
      57.0       1.4
      58.0      11.6
      61.0       1.0
      62.0       5.0
      63.0      26.1
      64.0      25.7
      65.0       9.9
      66.0       1.9
      67.0       1.4
      68.0       8.0
      69.0       6.8
      70.0       4.7
      74.0       2.3
      75.0       8.3
      76.0      10.7
      77.0       4.3
      78.0       4.6
      79.0      10.3
      80.0       9.2
      81.0       3.6
      82.0       1.0
      83.0       4.1
      84.0       3.2
      88.0       1.0
      89.0       5.2
      90.0      31.5
      91.0      22.4
      92.0      10.5
      93.0       2.1
      98.0       1.1
      99.0       2.1
     100.0       1.4
     102.0       1.3
     103.0       1.8
     104.0       2.8
     105.0       6.7
     106.0      17.2
     107.0       4.8
     108.0       8.9
     109.0       1.0
     116.0       1.0
     117.0       1.9
     118.0       1.5
     119.0       1.3
     120.0       3.2
     121.0       1.7
     122.0      23.1
     123.0       2.2
     130.0       1.2
     131.0       5.6
     132.0       6.7
     133.0       1.5
     135.0       1.0
     136.0      25.1
     137.0       8.9
     138.0      15.6
     139.0       3.1
     143.0       1.1
     144.0       1.5
     145.0       1.7
     146.0       1.1
     147.0       3.0
     150.0       9.8
     151.0      14.5
     152.0       3.2
     156.0       1.5
     157.0       1.0
     158.0       1.2
     161.0       2.7
     162.0       1.3
     163.0       1.2
     172.0       4.3
     173.0      25.2
     174.0       3.6
     177.0       8.4
     178.0       2.7
     188.0      12.9
     189.0       3.2
     190.0       1.4
     202.0       5.3
     203.0       2.4
     204.0       2.3
     206.0       1.3
     218.0      17.6
     219.0      77.3
     220.0      14.6
     221.0       2.2
     234.0       4.2
     235.0       2.5
     236.0     100.0
     237.0      15.3
     238.0       2.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₂ N₄ O₃	0.036 g : 0.5 ml DMSO-d₆
biacetyl mono(p-nitrophenylhydrazone) monooxime

    Assign.     Shift(ppm)

      A     *1     11.4
      B     *1     10.2
      C             8.143
      D             7.324
      E     *2      2.153
      F     *2      2.082

     Hz     ppm     Int.

   4577.14  11.453    184
   4095.24  10.248    153
   3259.45   8.156    272
   3250.11   8.133    280
   2934.69   7.344     34
   2931.76   7.336    233
   2927.18   7.325     22
   2922.42   7.313    223
   2919.49   7.306     31
    860.52   2.154    940
    832.13   2.083   1000

in DMSO-d6

KBr disc

nujol mull

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