4659-47-6

2,3,6-三氯溴苯酚氧酯(4659-47-6)質譜(MS)

產(chǎn)品名稱:2,3,6-三氯溴苯酚氧酯

CAS:4659-47-6

分子式:C7H3Cl3O

分子量: 209.46

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

InChIKey: AURSMWWOMOVHBM-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS-NW-9398          
2,3,6-trichlorobenzaldehyde
C7H3Cl3O            (Mass of molecular ion:    208)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       1.2
      28.0       1.3
      29.0       5.2
      36.0       3.8
      37.0       5.5
      38.0       2.3
      47.0       1.2
      49.0       3.5
      50.0       5.0
      54.0       2.7
      54.5       1.2
      55.0       1.2
      60.0       2.0
      61.0       3.5
      62.0       1.5
      71.5       2.2
      72.0       4.6
      72.5       1.5
      73.0      11.5
      74.0      29.7
      75.0       8.2
      83.0       1.1
      84.0      10.9
      85.0       4.2
      86.0       4.8
      87.0       1.9
      90.0       1.6
      91.0       1.5
      97.0       1.2
     103.5       1.5
     104.5       1.3
     107.0       1.4
     108.0       9.4
     109.0      30.9
     110.0       6.8
     111.0      10.0
     112.0       1.2
     118.0       2.6
     119.0       1.3
     120.0       2.1
     121.0       1.0
     143.0       8.3
     144.0      20.5
     145.0      18.6
     146.0      14.0
     147.0       9.7
     148.0       2.7
     149.0       1.4
     172.0       3.4
     174.0       2.3
     179.0      19.9
     180.0      11.1
     181.0      19.9
     182.0      10.5
     183.0       6.7
     184.0       3.4
     207.0      99.4
     208.0      62.0
     209.0     100.0
     210.0      60.0
     211.0      35.1
     212.0      19.6
     213.0       4.8
     214.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₃ Cl₃ O	0.054 g : 0.5 ml CDCl₃
2,3,6-trichlorobenzaldehyde

    Assign.     Shift(ppm)

      A            10.426
      B             7.564
      C             7.353

     Hz     ppm     Int.

   4167.02  10.427    892
   4166.56  10.426    884
   3027.80   7.577    792
   3019.10   7.555   1000
   2943.12   7.365    675
   2942.66   7.364    714
   2940.06   7.357     34
   2934.42   7.343    593
   2933.96   7.342    603

KBr disc