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网站主页CAS数据库列表 58-89-9更多图谱林丹(R-六六六)(58-89-9)核磁图(13CNMR)

林丹(R-六六六)

产品名称 林丹(R-六六六)

CAS号58-89-9

分子式C6H6Cl6

分子量290.81

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  • Mass

    MS-NW-8478          
    gamma-1,2,3,4,5,6-hexachlorocyclohexane
    C6H6Cl6             (Mass of molecular ion:    288)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0       9.0
          26.0       1.5
          27.0       2.3
          35.0       1.0
          36.0       3.9
          37.0       2.0
          37.5       1.4
          38.0       7.4
          39.0       5.1
          49.0       5.0
          50.0       9.9
          51.0      19.0
          52.0       2.1
          55.0       2.7
          55.5       1.2
          56.0       3.5
          60.0       1.3
          61.0       6.1
          62.0       1.6
          63.0       3.1
          72.0       1.1
          73.0      10.7
          74.0       5.6
          75.0      14.5
          76.0       1.6
          77.0      14.8
          78.0       3.2
          83.0      16.4
          84.0       1.4
          85.0      17.8
          86.0       2.2
          87.0      10.4
          89.0       2.2
          95.0       1.3
          96.0       7.3
          97.0       2.1
          98.0       4.8
          99.0       4.4
         100.0       1.5
         101.0       1.3
         109.0      59.4
         110.0       2.7
         111.0      52.6
         112.0       7.7
         113.0      12.5
         114.0       2.4
         121.0      10.3
         122.0       4.7
         123.0       6.7
         124.0       2.9
         125.0       1.3
         131.0       1.2
         133.0       4.3
         134.0       2.3
         135.0       4.8
         136.0       1.5
         137.0       1.9
         143.0       5.5
         145.0      18.8
         146.0      14.5
         147.0      17.1
         148.0       9.8
         149.0       6.0
         150.0       1.9
         156.0      10.0
         157.0       5.2
         158.0       9.9
         159.0       4.6
         160.0       3.2
         161.0       1.3
         169.0       2.9
         171.0       2.6
         181.0     100.0
         182.0       8.1
         183.0      96.7
         184.0       7.0
         185.0      31.1
         186.0       2.3
         187.0       3.5
         216.0       9.5
         217.0      70.3
         218.0      16.8
         219.0      90.0
         220.0      11.8
         221.0      43.4
         222.0       4.0
         223.0       9.4
         252.0      14.0
         253.0       1.2
         254.0      22.5
         255.0       1.8
         256.0      14.3
         257.0       1.2
         258.0       4.5
         288.0       4.0
         290.0       7.6
         292.0       6.1
         294.0       2.5
    

90 MHz in CDCl3

parameter in acetone-d6 at -50 C


  • 1H NMR 89.56 MHz
    C6 H6 Cl6 0.045 g : 0.5 ml CDCl3
    gamma-1,2,3,4,5,6-hexachlorocyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.90 to 4.55

         Hz     ppm     Int.
    

        434.50   4.852     42
        433.75   4.844     47
        432.44   4.829     55
        431.75   4.821     62
        431.19   4.815     64
        430.88   4.812     61
        429.13   4.792     73
        427.13   4.770    113
        426.06   4.758     97
        425.25   4.749    115
        422.56   4.719    247
        418.13   4.669   1000
        414.50   4.629    236
        412.38   4.605    105
        411.56   4.596    119
        409.25   4.570     39
    


  • 1H NMR 300 MHz
    C6 H6 Cl6 4 mol% in acetone-d6 at -50C
    gamma-1,2,3,4,5,6-hexachlorocyclohexane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.417 D(B) 5.079 D(C) 5.136 D(D) 4.584 D(E) 5.136 D(F) 5.079 J(A,B) 2.11 J(A,C) -0.52 J(A,D) 0.24 J(A,E) -0.52 J(A,F) 2.11 J(B,C) 3.47 J(B,D) -0.51 J(B,E) 0.26 J(B,F) 1.21 J(C,D) 10.81 J(C,E) -0.36 J(C,F) 0.26 J(D,E) 10.81 J(D,F) -0.51 J(E,F) 3.47 HAYAMIZU,K. ET AL. TETRAHEDRON 27, 779 (1972)

         Hz     ppm     Int.
    

       1627.14   5.424    424
       1625.12   5.417    836
       1623.07   5.410    467
       1548.31   5.161    525
       1544.77   5.149    720
       1537.56   5.125    527
       1534.00   5.113    900
       1526.26   5.088    949
       1524.07   5.080   1000
       1521.45   5.071    506
       1520.53   5.068    605
       1385.51   4.618    498
       1374.84   4.583    852
       1364.16   4.547    376
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder