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Back ChemicalBook Home>CAS DataBase List>76-01-7More Spectrum> PENTACHLOROETHANE(76-01-7) IR1

PENTACHLOROETHANE(76-01-7) IR1

Product NamePENTACHLOROETHANE

CAS76-01-7

Molecular FormulaC2HCl5

Molecular Weight202.29

InChIInChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H

InChIKey BNIXVQGCZULYKV-UHFFFAOYSA-N

SmilesC(Cl)(Cl)(Cl)C(Cl)Cl


  • Mass

    MS-NW-4428          
    pentachloroethane
    C2HCl5              (Mass of molecular ion:    200)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.5
          24.0       1.2
          25.0       6.4
          35.0       8.7
          36.0       3.4
          37.0       2.7
          38.0       1.0
          47.0      10.7
          48.0       4.1
          49.0       3.7
          50.0       1.3
          59.0       4.4
          60.0      22.5
          61.0       2.0
          62.0       7.5
          65.0       2.5
          66.0       2.4
          82.0       6.2
          83.0      38.7
          84.0       4.7
          85.0      25.4
          87.0       4.0
          94.0       8.2
          95.0      13.3
          96.0       5.4
          97.0       9.3
          98.0       1.2
          99.0       1.6
         117.0     100.0
         118.0       1.2
         119.0      97.0
         120.0       1.1
         121.0      29.6
         123.0       3.3
         129.0       8.1
         130.0      28.0
         131.0       8.4
         132.0      26.8
         133.0       3.2
         134.0       9.0
         136.0       1.1
         164.0       1.8
         165.0      74.1
         166.0       3.9
         167.0      96.2
         168.0       3.4
         169.0      46.6
         170.0       1.3
         171.0      10.3
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C2 H Cl5 10 % in CCl4
    pentachloroethane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.09 SHEPPARD,N. & TURNER,J.J. PROC.ROY.SOC. A 252, 506 (1959)

         Hz     ppm     Int.
    

       1827.00   6.090   1000
    

in CDCl3



liquid film



4880 A,100M,liquid



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