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网站主页CAS数据库列表 68-22-4更多图谱炔诺酮(68-22-4)核磁图(1HNMR)

炔诺酮

产品名称 炔诺酮

CAS号68-22-4

分子式C20H26O2

分子量298.43

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  • Mass

    MS-IW-3439          
    17alpha-ethynyl-19-nortestosterone
    C20H26O2            (Mass of molecular ion:    298)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       2.0
          26.0       1.0
          27.0       4.2
          28.0       1.0
          29.0       3.6
          39.0       9.9
          40.0       2.7
          41.0      19.2
          42.0       1.4
          43.0       5.7
          51.0       3.5
          52.0       2.3
          53.0      15.3
          54.0       2.3
          55.0      15.6
          57.0       1.3
          63.0       1.4
          64.0       1.1
          65.0       8.9
          66.0       3.3
          67.0      18.8
          68.0       6.7
          69.0       4.3
          71.0       1.0
          77.0      22.7
          78.0       6.7
          79.0      28.4
          80.0       7.1
          81.0      16.6
          82.0       2.8
          83.0       4.7
          89.0       1.2
          91.0      35.9
          92.0       8.0
          93.0      18.7
          94.0       6.1
          95.0      12.0
          96.0       3.6
          97.0       9.3
          98.0       1.0
         103.0       4.3
         104.0       3.9
         105.0      22.7
         106.0       8.0
         107.0      21.6
         108.0      12.1
         109.0      16.6
         110.0      37.7
         111.0       5.4
         115.0       7.1
         116.0       3.0
         117.0      12.8
         118.0       5.7
         119.0      16.9
         120.0      14.7
         121.0      21.4
         122.0      15.6
         123.0      11.5
         124.0       8.1
         125.0       1.3
         127.0       1.7
         128.0       5.1
         129.0       7.9
         130.0       3.6
         131.0      11.1
         132.0       6.0
         133.0      13.4
         134.0      11.9
         135.0      21.6
         136.0       5.8
         137.0       5.7
         138.0       1.4
         141.0       3.5
         142.0       2.9
         143.0       5.9
         144.0       3.9
         145.0      11.9
         146.0       8.1
         147.0      19.4
         148.0      10.7
         149.0       9.7
         150.0       3.3
         151.0       1.6
         152.0       1.1
         153.0       1.2
         155.0       4.3
         156.0       2.7
         157.0       6.4
         158.0       6.3
         159.0      13.1
         160.0      22.6
         161.0      15.7
         162.0      26.0
         163.0       7.4
         164.0       2.1
         165.0       1.4
         167.0       1.4
         168.0       1.0
         169.0       3.6
         170.0       5.5
         171.0       7.9
         172.0       5.8
         173.0      16.7
         174.0       9.5
         175.0      14.4
         176.0       4.9
         177.0       4.2
         178.0       2.7
         179.0       1.2
         181.0       1.7
         182.0       1.2
         183.0       3.5
         184.0       2.8
         185.0       4.7
         186.0       7.6
         187.0      10.0
         188.0      11.6
         189.0      14.5
         190.0       4.1
         191.0       1.6
         195.0       2.6
         196.0       1.6
         197.0       5.3
         198.0       3.3
         199.0       6.6
         200.0       4.2
         201.0       7.0
         202.0       5.4
         203.0       2.4
         209.0       2.1
         210.0       2.4
         211.0       3.2
         212.0       6.1
         213.0      14.8
         214.0       6.3
         215.0      29.7
         216.0       7.2
         217.0       7.3
         218.0       3.6
         223.0       3.1
         224.0       2.3
         225.0       2.2
         226.0       4.2
         227.0       3.5
         228.0      14.0
         229.0       4.5
         230.0       9.8
         231.0      59.1
         232.0      10.4
         233.0       1.2
         237.0       2.3
         238.0       2.8
         239.0       1.8
         240.0       1.0
         241.0       6.3
         242.0       3.0
         243.0       2.0
         244.0       2.7
         251.0       1.9
         252.0       3.0
         253.0       1.0
         254.0       1.9
         255.0       3.7
         256.0       4.8
         257.0       1.6
         265.0       3.4
         269.0       5.1
         270.0      10.2
         271.0       2.2
         272.0      12.1
         273.0       2.4
         280.0       4.7
         281.0       1.6
         283.0       6.2
         284.0       1.3
         298.0     100.0
         299.0      22.3
         300.0       3.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C20 H26 O2 0.038 g : 0.5 ml CDCl3
    17alpha-ethynyl-19-nortestosterone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.840 B 2.577 C 2.480 D 2.42 E 2.33 to 2.24 F 2.104 G 2.007 J 1.924 K 1.842 L 1.75 M 1.70 N 1.65 P 1.56 Q 1.53 R 1.36 S 1.288 T 1.095 U 0.914 V 0.91 ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       2334.11   5.841    195
       1030.15   2.578    469
       1000.12   2.503     61
        999.51   2.501     62
        988.04   2.473     70
        985.60   2.467     88
        984.74   2.465     87
        984.38   2.464     87
        982.18   2.458     77
        975.95   2.443     70
        964.11   2.413     66
        959.47   2.401     73
        958.37   2.399     71
        958.01   2.398     70
        957.64   2.397     70
        956.91   2.395     70
        935.06   2.340     86
        933.47   2.336     73
        929.44   2.326    118
        924.93   2.315    165
        921.39   2.306    189
        919.68   2.302    217
        916.26   2.293    142
        915.89   2.292    142
        909.67   2.277    221
        905.64   2.267    229
        894.17   2.238     76
        889.28   2.226     54
        842.77   2.109     63
        842.29   2.108     62
        841.19   2.105     59
        840.82   2.104     59
        840.33   2.103     59
        839.84   2.102     59
        839.11   2.100     59
        813.72   2.037     55
        805.66   2.016     70
        803.96   2.012     65
        801.76   2.007     74
        800.17   2.003     59
        777.59   1.946     58
        774.54   1.939     60
        763.79   1.912     63
        760.99   1.905     63
        745.00   1.865     53
        744.75   1.864     53
        742.19   1.858     60
        739.62   1.851     53
        731.93   1.832     59
        729.49   1.826     63
        726.68   1.819     53
        700.32   1.753     99
        696.53   1.743    100
        692.02   1.732     71
        690.19   1.727     65
        687.38   1.720    109
        682.86   1.709    101
        667.48   1.671     73
        664.55   1.663     91
        663.45   1.661     96
        660.64   1.654     74
        651.73   1.631     56
        650.88   1.629     54
        650.51   1.628     54
        632.08   1.582     76
        629.39   1.575     68
        628.54   1.573     65
        627.69   1.571     70
        622.19   1.557     85
        618.16   1.547    129
        610.84   1.529     85
        606.69   1.519     75
        599.24   1.500     59
        564.45   1.413     57
        552.73   1.384    133
        547.12   1.369     94
        540.77   1.354    112
        535.03   1.339     74
        531.37   1.330     60
        528.56   1.323     57
        518.07   1.297     60
        514.65   1.288     54
        514.04   1.287     55
        505.74   1.266     57
        501.34   1.255     56
        444.46   1.113     58
        440.80   1.103     54
        375.00   0.939     59
        374.63   0.938     59
        373.41   0.935     54
        365.36   0.915   1000
        356.93   0.894     79
        354.74   0.888     64
        353.88   0.886     67
        353.52   0.885     68
        353.15   0.884     67
    

KBr disc



nujol mull



4880 A,200 M,powder