1，1，3，3-Tetrachloroacetone(632-21-3) MS

Product Name1，1，3，3-Tetrachloroacetone

CAS 632-21-3

Molecular FormulaC3H2Cl4O

Molecular Weight195.86

InChIInChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H

InChIKey DJWVKJAGMVZYFP-UHFFFAOYSA-N

SmilesC(Cl)(Cl)C(=O)C(Cl)Cl

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¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9502          
1,1,3,3-tetrachloroacetone
C3H2Cl4O            (Mass of molecular ion:    194)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      25.0       1.1
      26.0       2.0
      35.0       1.4
      36.0       2.8
      37.0       1.0
      41.0       1.2
      47.0       3.6
      48.0       8.1
      49.0       3.1
      50.0       2.6
      60.0       2.3
      61.0       3.0
      63.0       1.7
      76.0      14.0
      77.0       5.9
      78.0       4.5
      79.0       1.8
      82.0       1.2
      83.0     100.0
      84.0       2.0
      85.0      64.3
      87.0      10.7
      95.0       3.2
      96.0       1.0
      97.0       2.2
     110.0       1.7
     111.0      23.6
     112.0       1.6
     113.0      15.2
     115.0       2.4
     117.0       1.1
     119.0       1.0
     131.0       2.2
     133.0       2.0
     194.0       2.8
     196.0       3.6
     198.0       1.7

parameter in CDCl3

¹H NMR	300 MHz
C₃ H₂ Cl₄ O	0.05 ml : 0.5 ml CDCl₃
1,1,3,3-tetrachloroacetone

    Parameter     ppm  Hz

      D(A)         6.491

     Hz     ppm     Int.

   1947.30   6.491   1000

in CDCl3

liquid film

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