Phthaloyl dichloride(88-95-9) ¹³C NMR

Product NamePhthaloyl dichloride

CAS 88-95-9

Molecular FormulaC8H4Cl2O2

Molecular Weight203.02

InChIInChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H

InChIKey FYXKZNLBZKRYSS-UHFFFAOYSA-N

SmilesC1(C(Cl)=O)=CC=CC=C1C(Cl)=O

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Mass

MS-NW-5117          
phthaloyl dichloride
C8H4Cl2O2           (Mass of molecular ion:    202)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.8
      28.0       2.7
      29.0       5.3
      35.0       1.3
      36.0       5.5
      37.0       5.0
      37.5       2.2
      38.0       9.1
      39.0       1.1
      49.0       2.7
      50.0      21.6
      51.0       2.9
      52.0       6.9
      61.0       1.8
      62.0       1.2
      66.0      10.0
      73.0       2.3
      73.5       8.7
      74.5      14.8
      75.5      23.7
      76.5       2.5
      84.0       1.3
     104.0      21.8
     105.0       2.0
     111.0      29.3
     112.0       2.2
     113.0       9.8
     139.0       4.3
     141.0       1.4
     148.0       2.0
     164.0       1.6
     167.0     100.0
     168.0       9.2
     169.0      32.8
     170.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₄ Cl₂ O₂	0.05 ml : 0.5 ml CDCl₃
phthaloyl dichloride

    Assign.     Shift(ppm)

      A             7.940
      B             7.787

     Hz     ppm     Int.

   3181.76   7.962    172
   3177.98   7.952    853
   3174.68   7.944    798
   3172.12   7.938    795
   3168.95   7.930   1000
   3164.92   7.920    227
   3126.71   7.824     30
   3120.48   7.809    164
   3116.33   7.798    994
   3113.16   7.790    702
   3110.60   7.784    694
   3107.30   7.776    764
   3103.39   7.766     97
   3097.66   7.751     23
   3096.31   7.748     21

in CDCl3