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Back ChemicalBook Home>CAS DataBase List>6361-21-3More Spectrum> 2-Chloro-5-nitrobenzaldehyde(6361-21-3) 1H NMR

2-Chloro-5-nitrobenzaldehyde(6361-21-3) 1H NMR

Molecular FormulaC7H4ClNO3

Molecular Weight185.56

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

InChIKey VFVHWCKUHAEDMY-UHFFFAOYSA-N

SmilesC(=O)C1=CC([N+]([O-])=O)=CC=C1Cl


  • Mass

    MS-NW-3550          
    2-chloro-5-nitrobenzaldehyde
    C7H4ClNO3           (Mass of molecular ion:    185)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          28.0       3.9
          29.0       6.5
          30.0       9.5
          36.0       1.4
          37.0       4.5
          38.0       3.3
          39.0       1.7
          49.0       2.6
          50.0      16.8
          51.0       7.7
          53.0       1.1
          61.0       3.7
          62.0       3.3
          63.0       5.5
          64.0       1.1
          72.0       1.0
          73.0       6.5
          74.0      23.6
          75.0     100.0
          76.0      11.5
          84.0       3.6
          85.0       6.2
          86.0       1.9
          87.0       2.5
          99.0      10.4
         101.0       3.8
         103.0       4.2
         109.0       2.1
         110.0      11.5
         111.0      25.2
         112.0       5.4
         113.0       8.4
         126.0       2.2
         127.0       2.0
         138.0      15.7
         139.0      23.6
         140.0       7.0
         141.0       7.9
         149.0       1.3
         155.0       5.2
         157.0       2.1
         169.0       1.8
         184.0      75.1
         185.0      75.9
         186.0      30.8
         187.0      25.9
         188.0       2.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H4 Cl N O3 0.043 g : 0.5 ml CDCl3
    2-chloro-5-nitrobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.497 B 8.736 C 8.387 D 7.709 J(B,C)=2.8HZ. J(C,D)=8.8HZ.

         Hz     ppm     Int.
    

        940.21  10.499   1000
        784.20   8.757    263
        781.35   8.725    312
        757.62   8.460    204
        754.83   8.429    166
        748.83   8.362    260
        746.04   8.331    229
        694.34   7.753    351
        685.55   7.655    270
    

in CDCl3



KBr disc



nujol mull





2-Chloro-5-nitrobenzaldehyde(6361-21-3) 1H NMR Atlas of Related Products

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