874-42-0

2,4-二氯苯甲醛(874-42-0)質(zhì)譜(MS)

產(chǎn)品名稱:2,4-二氯苯甲醛

CAS:874-42-0

分子式:C7H4Cl2O

分子量: 175.01

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

InChIKey: YSFBEAASFUWWHU-UHFFFAOYSA-N

Smiles:C(=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

    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