594-89-8

1,1,1,2,2,3,3-Heptachloropropane(594-89-8) IR2

Product Name1,1,1,2,2,3,3-Heptachloropropane

CAS 594-89-8

Molecular FormulaC3HCl7

Molecular Weight285.21

InChIInChI=1S/C3HCl7/c4-1(5)2(6,7)3(8,9)10/h1H

InChIKey YFIIENAGGCUHIQ-UHFFFAOYSA-N

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

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1,1,1,2,2,3,3-Heptachloropropane(594-89-8) IR2
Mass

MS-NW-9129          
1,1,1,2,2,3,3-heptachloropropane
C3HCl7              (Mass of molecular ion:    282)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      35.0       1.9
      36.0       4.9
      37.0       4.1
      38.0       1.2
      47.0       3.7
      49.0       1.2
      53.0       1.5
      54.0       1.0
      60.0       2.0
      71.0       4.3
      72.0       6.1
      73.0       1.5
      74.0       1.8
      82.0       2.8
      83.0     100.0
      84.0       2.9
      85.0      63.3
      86.0       1.0
      87.0      10.1
      88.5       1.0
      89.5       1.3
      94.0       2.4
      95.0       1.7
      96.0       1.6
      97.0       1.1
     106.0       2.8
     107.0       7.5
     108.0       2.1
     109.0       4.7
     117.0      52.5
     119.0      50.0
     121.0      16.1
     123.0       1.8
     129.0       1.8
     130.0       6.4
     131.0       1.9
     132.0       6.0
     134.0       1.9
     141.0       1.9
     143.0       1.9
     164.0      53.0
     165.0      11.6
     166.0      67.6
     167.0      14.7
     168.0      32.5
     169.0       7.0
     170.0       7.0
     171.0       1.5
     177.0      11.4
     179.0      14.5
     181.0       7.2
     183.0       1.5
     199.0       7.9
     201.0      12.7
     203.0       8.1
     205.0       2.6
     211.0       2.4
     213.0       3.9
     214.0       1.1
     215.0       2.5
     247.0       1.9
     249.0       3.5
     251.0       2.9
     253.0       1.2

in CDCl3