4659-45-4

2,6-二氯苯甲酰氯(4659-45-4)质谱(MS)

产品名称:2,6-二氯苯甲酰氯

CAS:4659-45-4

分子式:C7H3Cl3O

分子量: 209.46

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

InChIKey: JBLIDPPHFGWTKU-UHFFFAOYSA-N

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

Mass

MS-NW-7777          
2,6-dichlorobenzoyl chloride
C7H3Cl3O            (Mass of molecular ion:    208)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      35.0       2.0
      36.0       1.2
      37.0       5.5
      38.0       2.0
      47.0       1.0
      49.0       4.1
      50.0       4.5
      51.0       1.2
      54.5       1.7
      55.0       1.6
      60.0       1.1
      61.0       2.3
      72.0       1.3
      72.5       1.1
      73.0       4.8
      74.0      17.9
      75.0      14.2
      84.0       7.9
      85.0       3.2
      86.0       3.0
      86.5       2.6
      87.0       1.4
      87.5       1.6
     108.0       1.4
     109.0      17.4
     110.0       5.6
     111.0       5.9
     112.0       1.7
     145.0      25.1
     146.0       2.0
     147.0      16.2
     148.0       1.2
     149.0       2.7
     173.0     100.0
     174.0       7.9
     175.0      64.8
     176.0       5.2
     177.0      10.8
     208.0       6.4
     210.0       6.3
     212.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₃ Cl₃ O	0.05 ml : 0.5 ml CDCl₃
2,6-dichlorobenzoyl chloride

    Assign.     Shift(ppm)

      A             7.35

     Hz     ppm     Int.

    658.69   7.355   1000

in CDCl3

liquid film

4880 A,200 M,liquid

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