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Back ChemicalBook Home>CAS DataBase List>16965-08-5More Spectrum> CARBONIC ACID TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER(16965-08-5) MS

CARBONIC ACID TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER(16965-08-5) MS

Molecular FormulaC11H11Cl3O3

Molecular Weight297.56

InChIInChI=1S/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3

InChIKey LJFPGBIHDPZHIN-UHFFFAOYSA-N

SmilesC(OC1=CC(Cl)=C(Cl)C=C1Cl)(=O)OC(C)(C)C


  • Mass

    MS-IW-2322          
    tert-butyl 2,4,5-trichlorophenyl carbonate
    C11H11Cl3O3         (Mass of molecular ion:    296)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.1
          27.0       6.1
          28.0       5.9
          29.0      13.0
          36.0       1.7
          37.0       2.9
          38.0       2.9
          39.0      18.6
          40.0       4.5
          41.0      61.9
          42.0       3.2
          43.0       4.4
          44.0      36.3
          45.0       6.0
          48.0       3.5
          49.0       2.6
          50.0       3.3
          51.0       2.4
          53.0       4.6
          54.0       1.1
          55.0      10.5
          56.0      26.2
          57.0     100.0
          58.0       6.2
          59.0       1.6
          60.0       1.5
          61.0       5.6
          62.0       8.6
          63.0       3.5
          66.0       2.2
          67.0       1.2
          72.0       2.9
          73.0       4.9
          74.0       2.8
          75.0       1.3
          80.0       1.3
          83.0       2.8
          84.0       1.4
          85.0       1.9
          91.0       1.3
          96.0       2.5
          97.0      26.8
          98.0       4.6
          99.0      10.7
         100.0       1.5
         107.0       4.8
         108.0       1.5
         109.0       4.5
         111.0       1.0
         132.0      17.3
         133.0       9.5
         134.0      11.4
         135.0       5.8
         136.0       2.1
         143.0       2.1
         144.0       1.7
         145.0       1.5
         146.0       1.0
         160.0       3.4
         161.0       1.2
         162.0       3.3
         164.0       1.0
         167.0       5.5
         169.0       5.3
         171.0       1.7
         179.0      12.0
         181.0      11.4
         183.0       3.6
         195.0       1.0
         196.0      81.3
         197.0       6.8
         198.0      78.7
         199.0       5.8
         200.0      25.1
         201.0       1.8
         202.0       2.8
         223.0       9.0
         225.0       8.6
         227.0       2.7
         281.0       3.8
         283.0       3.6
         285.0       1.1
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C11 H11 Cl3 O3 0.043 g : 0.5 ml CDCl3
    tert-butyl 2,4,5-trichlorophenyl carbonate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.542 D(B) 7.354 J(A,B) 0.35 D(C) 1.559

         Hz     ppm     Int.
    

       2262.60   7.542     93
       2206.22   7.354     88
        467.68   1.559   1000
    

in CDCl3



KBr disc



CARBONIC ACID TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER(16965-08-5) MS Atlas of Related Products

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