897-06-3

1,4-雄烯二酮(897-06-3)紅外圖譜(IR3)

分子式:C19H24O2

分子量: 284.39

InChI:InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

InChIKey: LUJVUUWNAPIQQI-QAGGRKNESA-N

Smiles:C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2

Mass

MS-NW-2330          
1,4-androstadiene-3,17-dione
C19H24O2            (Mass of molecular ion:    284)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       2.5
      29.0       1.9
      39.0       3.6
      41.0       7.0
      51.0       1.4
      53.0       3.1
      55.0       3.9
      65.0       2.4
      67.0       3.8
      77.0       4.7
      78.0       1.4
      79.0       6.3
      80.0       1.0
      81.0       2.9
      91.0      10.6
      92.0       3.2
      93.0       7.0
      94.0       1.9
      95.0       1.6
      97.0       1.3
     105.0       5.1
     106.0       1.5
     107.0       6.7
     108.0       6.7
     109.0       2.6
     115.0       1.7
     117.0       1.8
     119.0       3.1
     120.0       2.0
     121.0      12.5
     122.0     100.0
     123.0       9.4
     128.0       1.2
     129.0       1.3
     131.0       2.4
     132.0       1.0
     133.0       2.1
     134.0       5.6
     135.0       5.4
     136.0       1.0
     143.0       1.0
     145.0       3.7
     146.0       1.2
     147.0       2.8
     149.0       3.8
     150.0       4.8
     158.0       1.3
     159.0      11.9
     160.0       2.9
     161.0       1.0
     163.0       3.3
     171.0       1.1
     173.0       1.1
     199.0       1.0
     227.0       1.0
     266.0       1.1
     284.0       9.9
     285.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₂₄ O₂	0.046 g : 0.5 ml CDCl₃
1,4-androstadiene-3,17-dione

    Assign.     Shift(ppm)

      A             7.050
      B             6.236
      C             6.08
      D          2.81 to 0.74
      E             1.266
      F             0.950

     Hz     ppm     Int.

    637.19   7.115    126
    627.00   7.001    164
    564.06   6.299    108
    562.19   6.278    134
    554.00   6.186     72
    552.06   6.165    119
    545.44   6.091    112
    544.88   6.084    116
    543.75   6.072     86
    228.31   2.550     36
    227.81   2.544     35
    224.31   2.505     42
    223.06   2.491     34
    221.56   2.474     50
    219.13   2.447    121
    217.13   2.425     47
    215.69   2.409     93
    215.13   2.403     92
    211.38   2.361     58
    208.31   2.326     32
    207.38   2.316     36
    196.00   2.189     79
    191.50   2.139     34
    187.94   2.099     91
    183.75   2.052     51
    182.38   2.037     50
    180.50   2.016     59
    180.13   2.012     59
    178.50   1.994     76
    178.00   1.988     75
    176.81   1.975     92
    175.19   1.957     80
    174.81   1.952     80
    172.25   1.924    121
    167.75   1.874     96
    164.13   1.833     95
    162.69   1.817    126
    159.75   1.784    118
    158.00   1.765     71
    155.81   1.740     54
    154.13   1.721     60
    151.13   1.688     38
    148.25   1.656     51
    146.38   1.635     34
    144.94   1.619     44
    144.81   1.617     44
    142.38   1.590     56
    140.13   1.565     35
    132.63   1.481     31
    128.81   1.439     32
    125.31   1.400     46
    124.88   1.395     46
    123.50   1.379     43
    123.00   1.374     42
    120.88   1.350     54
    118.00   1.318     32
    113.38   1.266   1000
    106.81   1.193     55
    105.50   1.178     47
    103.38   1.155     66
    101.00   1.128     55
     99.69   1.114     49
     99.38   1.110     49
     97.75   1.092     56
     97.38   1.088     56
     91.63   1.024     40
     85.13   0.951    718

in CDCl3