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16588-34-4

4-氯-3-硝基苯甲醛(16588-34-4)Raman光谱

分子式:C7H4ClNO3

分子量: 185.56

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

InChIKey: HETBKLHJEWXWBM-UHFFFAOYSA-N

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

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    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

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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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