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88-95-9

鄰苯二甲酰氯(88-95-9)質(zhì)譜(MS)

產(chǎn)品名稱:鄰苯二甲酰氯

CAS:88-95-9

分子式:C8H4Cl2O2

分子量: 203.02

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

InChIKey: FYXKZNLBZKRYSS-UHFFFAOYSA-N

Smiles:C1(C(Cl)=O)=CC=CC=C1C(Cl)=O

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

liquid film

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  • 圖譜

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