3,5-二氯苯甲醛

产品名称 3,5-二氯苯甲醛

CAS号10203-08-4

分子式C7H4Cl2O

分子量175.01

¹³CNMR

Mass

MS-NW-6387          
3,5-dichlorobenzaldehyde
C7H4Cl2O            (Mass of molecular ion:    174)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.7
      28.0       1.5
      29.0       5.5
      35.0       1.0
      36.0       2.5
      37.0       5.1
      38.0       2.8
      49.0       3.2
      50.0      13.4
      51.0       4.6
      54.5       1.2
      55.0       1.4
      60.0       1.4
      61.0       2.8
      62.0       1.6
      63.0       1.1
      72.0       1.3
      73.0       6.8
      74.0      23.3
      75.0      32.6
      76.0       3.2
      84.0       4.5
      85.0       4.9
      86.0       2.1
      87.0       1.9
     108.0       1.3
     109.0      14.2
     110.0       7.6
     111.0      21.8
     112.0       3.7
     113.0       6.0
     145.0      36.1
     146.0       9.7
     147.0      23.0
     148.0       6.6
     149.0       4.1
     150.0       1.1
     173.0     100.0
     174.0      78.5
     175.0      70.2
     176.0      50.1
     177.0      14.5
     178.0       8.3

400 MHz in CDCl3

90 MHz in CDCl3

parameter in CS2

¹H NMR	399.65 MHz
C₇ H₄ Cl₂ O	0.046 g : 0.5 ml CDCl₃
3,5-dichlorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.933
      B             7.747
      C             7.604
     
     J(B,C)=2.0HZ.

     Hz     ppm     Int.

   3969.77   9.934    820
   3099.18   7.755     33
   3098.63   7.754     29
   3096.61   7.749   1000
   3094.60   7.744    831
   3092.03   7.737     21
   3041.11   7.610    248
   3039.10   7.605    291
   3037.27   7.600    200

¹H NMR	89.56 MHz
C₇ H₄ Cl₂ O	0.041 g : 0.5 ml CDCl₃
3,5-dichlorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.928
      B             7.737
      C             7.602
     
     J(B,C)=1.92HZ.

     Hz     ppm     Int.

    889.13   9.928    877
    696.63   7.779     26
    696.19   7.774     28
    694.13   7.751    696
    692.19   7.729   1000
    689.63   7.701     33
    684.25   7.641     28
    682.38   7.620    335
    680.38   7.597    318
    678.56   7.577    187

¹H NMR	300 MHz
C₇ H₄ Cl₂ O	15 mol% in CS₂
3,5-dichlorobenzaldehyde

    Parameter     ppm  Hz

      D(A)         7.660
      D(B)         7.489
      D(C)         9.883
       J(A,B)          1.93
       J(A,C)          0.10
       J(B,C)          0.0
     
     BELL,C.L. ET AL. CAN.J.CHEM. 47, 3529 (1969)

     Hz     ppm     Int.

   2964.91   9.883    918
   2298.99   7.663    933
   2297.07   7.657   1000
   2248.59   7.495    276
   2246.69   7.489    485
   2244.76   7.483    240

in CDCl3

KBr disc

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