56961-75-2

2,3,5-三氯苯甲醛(56961-75-2)質(zhì)譜(MS)

產(chǎn)品名稱:2,3,5-三氯苯甲醛

CAS:56961-75-2

分子式:C7H3Cl3O

分子量: 209.46

InChI:InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H

InChIKey: DJYRZTCLVDKWBL-UHFFFAOYSA-N

Smiles:C(=O)C1=CC(Cl)=CC(Cl)=C1Cl

Mass

MS-IW-0569          
2,3,5-trichlorobenzaldehyde
C7H3Cl3O            (Mass of molecular ion:    208)

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

      28.0       1.0
      29.0       4.4
      36.0       2.5
      37.0       3.8
      38.0       1.9
      49.0       2.5
      50.0       4.5
      54.0       1.4
      60.0       1.0
      61.0       2.4
      62.0       1.2
      71.5       1.6
      72.0       3.5
      72.5       1.2
      73.0      10.6
      74.0      28.6
      75.0       7.9
      84.0       9.8
      85.0       3.6
      86.0       3.9
      87.0       1.5
     104.5       1.0
     107.0       1.2
     108.0       8.6
     109.0      28.9
     110.0       6.3
     111.0       9.5
     112.0       1.1
     119.0       1.1
     143.0       8.1
     144.0      17.3
     145.0      17.1
     146.0      11.9
     147.0       8.6
     148.0       2.3
     149.0       1.3
     172.0       3.3
     174.0       2.2
     179.0      22.9
     180.0       9.3
     181.0      22.7
     182.0       9.0
     183.0       7.6
     184.0       2.9
     207.0      98.7
     208.0      68.9
     209.0     100.0
     210.0      66.4
     211.0      35.3
     212.0      21.6
     213.0       5.0
     214.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₃ Cl₃ O	0.063 g : 0.5 ml CDCl₃
2,3,5-trichlorobenzaldehyde

    Assign.     Shift(ppm)

      A            10.413
      B             7.791
      C             7.693

     Hz     ppm     Int.

    932.67  10.414   1000
    930.03  10.385     28
    701.37   7.832     34
    699.46   7.810    393
    696.90   7.782    649
    695.29   7.764     42
    695.00   7.761     41
    693.97   7.749     36
    693.31   7.742     33
    692.21   7.730     47
    691.92   7.726     49
    689.94   7.704    658
    687.38   7.676    377
    686.06   7.661     36
    685.77   7.658     35

in CDCl3