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Back ChemicalBook Home>CAS DataBase List>874-42-0More Spectrum> 2,4-Dichlorobenzaldehyde(874-42-0) IR3

2,4-Dichlorobenzaldehyde(874-42-0) IR3

Molecular FormulaC7H4Cl2O

Molecular Weight175.01

InChIInChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H

InChIKey YSFBEAASFUWWHU-UHFFFAOYSA-N

SmilesC(=O)C1=CC=C(Cl)C=C1Cl


  • Mass

    MS-NW-4788          
    2,4-dichlorobenzaldehyde
    C7H4Cl2O            (Mass of molecular ion:    174)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          28.0       1.5
          29.0       5.1
          36.0       1.8
          37.0       5.1
          38.0       2.4
          49.0       3.1
          50.0      14.2
          51.0       5.2
          55.0       2.2
          60.0       1.2
          61.0       2.6
          62.0       1.4
          69.0       1.0
          72.0       1.2
          73.0       6.6
          74.0      22.1
          75.0      36.7
          76.0       3.9
          84.0       5.2
          85.0       4.7
          86.0       2.3
          87.0       1.8
         108.0       1.0
         109.0      13.6
         110.0      13.8
         111.0      17.2
         112.0       5.3
         113.0       4.5
         138.0       2.5
         140.0       1.1
         145.0      26.3
         146.0       9.1
         147.0      18.5
         148.0       6.0
         149.0       3.2
         173.0     100.0
         174.0      61.3
         175.0      67.1
         176.0      38.6
         177.0      12.8
         178.0       6.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H4 Cl2 O 10.5 mol% in CDCl3
    2,4-dichlorobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.390 B 7.846 C 7.448 D 7.358 J(A,D)=0.8HZ. J(B,D)=8.2HZ. J(B,C)=0.4HZ. J(C,D)=2.0HZ.

         Hz     ppm     Int.
    

        932.59  10.414   1000
        931.79  10.405    981
        709.20   7.919    438
        708.69   7.914    412
        700.85   7.826    621
        700.42   7.821    600
        670.90   7.492    426
        670.46   7.487    503
        668.92   7.469    717
        668.48   7.465    597
        665.41   7.430    397
        664.60   7.421    381
        663.43   7.408    229
        662.62   7.399    218
        657.13   7.338    247
        656.32   7.329    243
        655.15   7.316    195
        654.35   7.307    184
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,100M,powder



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