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Back ChemicalBook Home>CAS DataBase List>319-85-7More Spectrum> BETA-HCH(319-85-7) 1H NMR

319-85-7

BETA-HCH(319-85-7) 1H NMR

Product NameBETA-HCH

CAS319-85-7

Molecular FormulaC6H6Cl6

Molecular Weight290.83

InChIInChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-

InChIKey JLYXXMFPNIAWKQ-CDRYSYESNA-N

Smiles[C@@H]1(Cl)[C@@H](Cl)[C@@H]([C@@H](Cl)[C@H](Cl)[C@H]1Cl)Cl |&1:0,2,4,5,7,9,r|

  • BETA-HCH(319-85-7) <sup>1</sup>H NMR
    Mass

    MS-NW-8496          
    beta-1,2,3,4,5,6-hexachlorocyclohexane
    C6H6Cl6             (Mass of molecular ion:    288)
    

       Source Temperature: 220 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0      10.2
          26.0       1.7
          27.0       2.2
          36.0       5.4
          37.0       2.2
          38.0       6.1
          39.0       5.2
          49.0       6.0
          50.0       8.7
          51.0      17.2
          52.0       1.6
          55.0       2.2
          56.0       2.5
          60.0       1.3
          61.0       6.5
          62.0       1.8
          63.0       3.1
          72.0       1.0
          73.0      11.2
          74.0       5.1
          75.0      12.4
          76.0       1.4
          77.0       9.6
          78.0       2.8
          83.0      22.6
          84.0       1.3
          85.0      22.0
          86.0       2.2
          87.0      13.2
          89.0       2.9
          95.0       1.5
          96.0       8.2
          97.0       2.2
          98.0       5.2
          99.0       5.3
         100.0       1.7
         101.0       1.6
         109.0      91.3
         110.0       3.7
         111.0      66.8
         112.0       6.3
         113.0      13.0
         114.0       1.8
         119.0       1.0
         121.0      11.1
         122.0       6.5
         123.0       7.6
         124.0       4.1
         125.0       1.5
         131.0       1.4
         133.0       5.3
         134.0       2.7
         135.0       6.9
         136.0       2.0
         137.0       3.0
         143.0       7.6
         145.0      20.2
         146.0      13.8
         147.0      15.7
         148.0       9.1
         149.0       4.9
         150.0       1.6
         156.0       6.3
         157.0       6.1
         158.0       6.3
         159.0       5.3
         160.0       2.2
         161.0       1.7
         169.0       4.5
         171.0       4.2
         173.0       1.3
         180.0       1.1
         181.0      94.1
         182.0       8.3
         183.0      91.2
         184.0       7.5
         185.0      30.0
         186.0       2.4
         187.0       3.5
         216.0       4.2
         217.0      78.7
         218.0      10.5
         219.0     100.0
         220.0       9.2
         221.0      48.0
         222.0       3.7
         223.0      10.3
         252.0      11.0
         253.0       1.6
         254.0      17.8
         255.0       2.3
         256.0      11.5
         257.0       1.4
         258.0       3.7
         288.0       2.8
         290.0       5.4
         292.0       4.3
         294.0       1.8
    

parameter in DMSO-d6

parameter in acetone-d6

  • BETA-HCH(319-85-7) <sup>1</sup>H NMR

    1H NMR 300 MHz
    C6 H6 Cl6 0.050 g : 0.5 ml DMSO-d6
    beta-1,2,3,4,5,6-hexachlorocyclohexane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.507

         Hz     ppm     Int.
    

       1352.10   4.507   1000
    

  • BETA-HCH(319-85-7) <sup>1</sup>H NMR

    1H NMR 300 MHz
    C6 H6 Cl6 4 mol% in acetone-d6
    beta-1,2,3,4,5,6-hexachlorocyclohexane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.476 HAYAMIZU,K. ET AL. TETRAHEDRON 27, 779 (1972)

         Hz     ppm     Int.
    

       1342.80   4.476   1000
    

in DMSO-d6

  • BETA-HCH(319-85-7) <sup>1</sup>H NMR

KBr disc

  • BETA-HCH(319-85-7) <sup>1</sup>H NMR

nujol mull

  • BETA-HCH(319-85-7) <sup>1</sup>H NMR

BETA-HCH(319-85-7) 1H NMR Atlas of Related Products

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