16588-34-4

4-Chloro-3-nitrobenzaldehyde(16588-34-4) IR1

Product Name4-Chloro-3-nitrobenzaldehyde

CAS 16588-34-4

Molecular FormulaC7H4ClNO3

Molecular Weight185.56

InChIInChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H

InChIKey HETBKLHJEWXWBM-UHFFFAOYSA-N

SmilesC(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1

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4-Chloro-3-nitrobenzaldehyde(16588-34-4) IR1
Mass

MS-NW-8939          
4-chloro-3-nitrobenzaldehyde
C7H4ClNO3           (Mass of molecular ion:    185)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       5.0
      28.0       1.8
      29.0       3.6
      30.0      11.6
      37.0       1.1
      38.0       2.0
      39.0       2.0
      44.0       1.2
      49.0       1.3
      50.0      12.3
      51.0       8.3
      53.0       1.1
      61.0       2.7
      62.0       2.2
      63.0       5.3
      64.0       1.2
      73.0       6.3
      74.0      18.4
      75.0     100.0
      76.0       9.5
      81.0       1.0
      84.0       4.4
      85.0       7.1
      86.0       2.2
      87.0       3.0
      95.0       1.5
      98.0       1.0
      99.0      15.0
     100.0       1.2
     101.0       5.1
     103.0       2.2
     109.0       2.7
     110.0      15.3
     111.0      29.8
     112.0       6.9
     113.0       9.6
     126.0       2.7
     138.0      22.0
     139.0      22.2
     140.0       8.9
     141.0       7.2
     155.0       7.8
     156.0       1.0
     157.0       2.9
     169.0       2.4
     184.0      76.0
     185.0      96.9
     186.0      32.7
     187.0      32.1
     188.0       2.7

90 MHz in CDCl3

4-Chloro-3-nitrobenzaldehyde(16588-34-4) IR1

¹H NMR	89.56 MHz
C₇ H₄ Cl N O₃	0.055 g : 0.5 ml CDCl₃
4-chloro-3-nitrobenzaldehyde

    Assign.     Shift(ppm)

      A            10.063
      B             8.375
      C             8.060
      D             7.791

     Hz     ppm     Int.

    905.42  10.110     37
    901.46  10.066   1000
    898.61  10.034     30
    754.83   8.429     35
    754.39   8.424     37
    751.10   8.387    468
    749.27   8.367    522
    746.48   8.335     43
    745.75   8.327     35
    729.79   8.149     31
    728.10   8.130    292
    726.20   8.109    243
    724.58   8.091     34
    723.71   8.081     33
    723.34   8.077     34
    722.17   8.064     40
    719.82   8.038    504
    717.99   8.017    460
    703.78   7.859     31
    703.49   7.855     34
    700.71   7.824    593
    697.63   7.790     35
    697.19   7.785     38
    696.83   7.781     36
    695.73   7.769     30
    694.78   7.758     31
    692.50   7.733    320

in CDCl3