89-75-8

2,4-二氯苯甲酰氯(89-75-8)質(zhì)譜(MS)

產(chǎn)品名稱:2,4-二氯苯甲酰氯

CAS:89-75-8

分子式:C7H3Cl3O

分子量: 209.46

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

InChIKey: CEOCVKWBUWKBKA-UHFFFAOYSA-N

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

Mass

MS-NW-5123          
2,4-dichlorobenzoyl chloride
C7H3Cl3O            (Mass of molecular ion:    208)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      28.0       1.5
      35.0       1.1
      36.0       3.0
      37.0       4.3
      38.0       1.6
      49.0       2.2
      50.0       5.9
      51.0       1.1
      54.5       3.4
      55.0       3.7
      55.5       1.3
      56.0       1.2
      60.0       1.0
      61.0       1.6
      72.0       1.6
      72.5       2.7
      73.0       4.4
      73.5       1.6
      74.0      15.4
      75.0      11.6
      84.0       4.4
      85.0       2.5
      86.0       1.6
      86.5       5.6
      87.0       1.3
      87.5       3.9
      90.0       1.4
      91.0       1.3
     108.0       1.2
     109.0      15.3
     110.0       5.7
     111.0       5.5
     112.0       1.6
     145.0      26.9
     146.0       2.5
     147.0      17.2
     148.0       1.3
     149.0       2.8
     173.0     100.0
     174.0       8.1
     175.0      63.7
     176.0       5.0
     177.0      10.7
     180.0       1.0
     182.0       1.0
     208.0       2.7
     210.0       2.4

parameter in CDCl3

¹H NMR	300 MHz
C₇ H₃ Cl₃ O	0.04 ml : 0.5 ml CDCl₃
2,4-dichlorobenzoyl chloride

    Parameter     ppm  Hz

      D(A)         8.060
      D(B)         7.505
      D(C)         7.404
       J(A,B)          0.43
       J(A,C)          8.50
       J(B,C)          2.06

     Hz     ppm     Int.

   2422.27   8.074    853
   2413.80   8.046    936
   2252.46   7.508    876
   2250.61   7.502   1000
   2226.35   7.421    696
   2224.30   7.414    604
   2217.85   7.393    631
   2215.81   7.386    562

in CDCl3