3,4-二氯苯甲醛(6287-38-3)紅外圖譜(IR1)

產品名稱:3,4-二氯苯甲醛

CAS:6287-38-3

分子式:C7H4Cl2O

分子量: 175.01

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

InChIKey: ZWUSBSHBFFPRNE-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=C(Cl)C(Cl)=C1

Mass

MS-NW-8785          
3,4-dichlorobenzaldehyde
C7H4Cl2O            (Mass of molecular ion:    174)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       2.8
      36.0       1.7
      37.0       2.9
      38.0       1.9
      49.0       2.3
      50.0       8.9
      51.0       3.5
      54.5       1.4
      55.0       2.1
      61.0       2.2
      62.0       1.1
      69.0       1.0
      72.0       1.1
      73.0       7.2
      74.0      19.0
      75.0      25.1
      76.0       2.2
      84.0       5.2
      85.0       4.2
      86.0       2.3
      87.0       1.6
     108.0       1.1
     109.0      14.2
     110.0       6.2
     111.0      15.7
     112.0       2.6
     113.0       3.8
     145.0      41.1
     146.0       7.3
     147.0      26.7
     148.0       4.6
     149.0       4.6
     173.0     100.0
     174.0      66.8
     175.0      69.4
     176.0      43.3
     177.0      13.6
     178.0       7.1

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ Cl₂ O	0.039 g : 0.5 ml CDCl₃
3,4-dichlorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.959
      B             7.961
      C             7.728
      D             7.641
     
     J(C,D)=8.2HZ. J(B,C)=1.8HZ.

     Hz     ppm     Int.

   3980.10   9.959   1000
   3186.34   7.973     25
   3182.68   7.964    589
   3180.85   7.960    691
   3097.84   7.752     24
   3094.33   7.743    313
   3092.50   7.739    280
   3089.75   7.732     23
   3086.09   7.722    463
   3084.26   7.718    452
   3060.61   7.659     27
   3056.64   7.649    603
   3052.67   7.639     24
   3048.40   7.628    403

¹H NMR	89.56 MHz
C₇ H₄ Cl₂ O	0.045 g : 0.5 ml CDCl₃
3,4-dichlorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.952
      B             7.955
      C             7.71
      D             7.65

     Hz     ppm     Int.

    891.44   9.954   1000
    891.06   9.950    826
    713.56   7.968    422
    713.00   7.962    377
    711.88   7.949    551
    711.25   7.942    452
    698.13   7.796    176
    696.50   7.777     91
    689.94   7.704    779
    689.25   7.696     77
    688.25   7.685    741
    686.38   7.664    505
    686.00   7.660    582
    685.44   7.654    406
    678.19   7.573     85
    677.81   7.569     94
    677.19   7.562     62

in CDCl3