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网站主页CAS数据库列表 53-16-7更多图谱雌酚酮(53-16-7)核磁图(13CNMR)

雌酚酮

产品名称 雌酚酮

CAS号53-16-7

分子式C18H22O2

分子量270.37

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  • Mass

    MS-NW-2165          
    estrone
    C18H22O2            (Mass of molecular ion:    270)
    

       Source Temperature: 230 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          15.0       1.6
          17.0       1.6
          18.0       5.6
          26.0       1.1
          27.0      16.3
          28.0       6.6
          29.0      11.4
          38.0       1.2
          39.0      21.3
          40.0       3.9
          41.0      26.6
          42.0       2.5
          43.0       4.1
          50.0       2.4
          51.0       9.4
          52.0       3.8
          53.0      12.6
          54.0       2.5
          55.0      11.8
          56.0       1.1
          57.0       2.1
          62.0       1.3
          63.0       5.9
          64.0       2.2
          65.0       9.8
          66.0       2.8
          67.0      11.3
          68.0       2.4
          69.0       2.3
          74.0       1.1
          75.0       2.0
          76.0       2.5
          77.0      20.0
          78.0       5.4
          79.0      13.3
          80.0       1.6
          81.0       6.2
          82.0       1.6
          83.0       1.2
          85.0       1.6
          88.0       1.0
          89.0       4.3
          90.0       1.2
          91.0      20.2
          92.0       3.9
          93.0       5.3
          94.0       2.0
          95.0       2.8
          97.0       6.5
          98.0       1.0
         101.0       1.3
         102.0       2.9
         103.0       8.2
         104.0       2.5
         105.0      12.3
         106.0       2.0
         107.0      13.3
         108.0       3.8
         109.0       1.5
         110.0       1.0
         111.0       1.2
         115.0      25.1
         116.0       9.6
         117.0       9.5
         118.0       1.8
         119.0       2.9
         120.0      13.1
         121.0       5.6
         122.0       1.2
         123.0       3.3
         124.0       1.0
         126.0       1.3
         127.0      11.9
         128.0      12.6
         129.0       8.7
         130.0       2.6
         131.0      20.4
         132.0       7.3
         133.0      21.9
         134.0       3.1
         135.0       1.6
         139.0       2.3
         141.0       8.2
         142.0       2.5
         143.0       3.1
         144.0      17.5
         145.0      28.9
         146.0      55.7
         147.0      12.0
         148.0       1.6
         149.0       1.2
         150.0       2.1
         151.0       1.3
         152.0       4.1
         153.0       3.9
         154.0       1.4
         155.0       2.8
         156.0       1.0
         157.0      25.1
         158.0      20.6
         159.0      27.2
         160.0      24.0
         161.0       3.9
         163.0       1.0
         165.0       5.1
         166.0       1.6
         167.0       1.9
         168.0       1.3
         169.0       2.8
         170.0      10.4
         171.0      10.9
         172.0      40.7
         173.0      10.3
         174.0       2.7
         178.0       1.5
         179.0       1.7
         181.0       3.2
         182.0       2.1
         183.0       3.8
         184.0       4.0
         185.0      44.6
         186.0      17.7
         187.0       2.9
         189.0       1.1
         194.0       1.2
         195.0       2.4
         196.0       1.5
         197.0       3.8
         198.0       2.8
         199.0      10.7
         200.0       4.2
         202.0       1.1
         209.0       2.3
         210.0       2.4
         211.0       6.8
         212.0       4.3
         213.0      24.4
         214.0      18.7
         215.0       3.5
         223.0       1.6
         224.0       1.8
         225.0       1.4
         226.0       7.7
         227.0       3.6
         228.0       2.7
         235.0       1.5
         237.0       3.6
         241.0       1.5
         242.0       8.4
         243.0       1.5
         248.0       1.5
         250.0       1.6
         251.0       1.4
         252.0       5.6
         253.0       1.6
         255.0       1.5
         268.0       1.4
         269.0       2.4
         270.0     100.0
         271.0      19.6
         272.0       2.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C18 H22 O2 0.044 g : 0.5 ml DMSO-d6
    estrone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.03 B 7.044 C 6.518 D 6.455 E 2.81 to 2.70 F *1 2.424 G 2.301 J 2.13 K *1 2.057 L *2 1.94 M 1.90 N 1.743 P *2 1.55 Q 1.50 to 1.43 R 1.40 to 1.33 S 1.31 T 0.816 ASSIGNED BY H-H AND C-H COSY. J(F,K)=-18.9HZ J(F,P)=8.3HZ J(K,L)=9.0HZ

         Hz     ppm     Int.
    

       3609.38   9.032    500
       2819.70   7.056    131
       2811.28   7.035    140
       2610.47   6.532     96
       2607.91   6.526    107
       2605.10   6.519     34
       2602.05   6.511     91
       2599.61   6.505    103
       2581.05   6.459    194
       2578.74   6.453    160
       1109.25   2.776     58
       1108.64   2.775     58
       1106.69   2.770     47
       1098.14   2.748    132
       1093.38   2.736    123
        983.15   2.461     67
        974.98   2.440     66
        964.36   2.414     84
        956.05   2.393     79
        917.36   2.296     69
        851.32   2.131     60
        841.92   2.107     50
        841.19   2.105     50
        838.99   2.100     61
        834.96   2.090     31
        830.44   2.078     92
        821.29   2.056     70
        811.52   2.031     71
        802.73   2.009     50
        782.84   1.959     52
        765.99   1.917     85
        755.86   1.892     61
        701.78   1.756     67
        699.46   1.751     72
        693.12   1.735     80
        690.80   1.729     78
        630.25   1.578     38
        629.64   1.576     38
        627.69   1.571     40
        627.20   1.570     41
        626.46   1.568     40
        624.02   1.562     32
        623.41   1.560     32
        618.16   1.547     62
        617.68   1.546     62
        615.36   1.540     44
        612.67   1.534     34
        608.28   1.523     54
        606.32   1.518     58
        602.91   1.509     34
        602.17   1.507     34
        601.44   1.505     35
        596.68   1.494     75
        595.83   1.491     74
        595.46   1.490     74
        585.69   1.466    148
        580.69   1.453     86
        578.86   1.449     82
        576.54   1.443     75
        575.93   1.442     75
        575.07   1.439     72
        574.22   1.437     70
        562.74   1.409     33
        562.38   1.408     33
        561.89   1.406     34
        561.40   1.405     34
        561.04   1.404     34
        560.42   1.403     34
        559.69   1.401     35
        558.84   1.399     36
        558.47   1.398     37
        557.37   1.395     34
        556.15   1.392     32
        555.66   1.391     31
        555.18   1.390     31
        547.24   1.370    149
        538.09   1.347    194
        534.18   1.337    105
        531.74   1.331     81
        531.01   1.329     81
        528.08   1.322     75
        527.59   1.321     75
        527.22   1.320     75
        526.73   1.318     75
        523.19   1.310     53
        522.58   1.308     52
        521.48   1.305     51
        518.19   1.297     36
        517.09   1.294     38
        514.89   1.289     47
        338.38   0.847     32
        337.52   0.845     32
        337.04   0.844     33
        326.17   0.817   1000
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder