50-28-2

雌二醇(50-28-2)紅外圖譜(IR1)

產(chǎn)品名稱:雌二醇

分子式:C18H24O2

分子量: 272.39

InChI:InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/s3

InChIKey: VOXZDWNPVJITMN-RBWZDWSONA-N

Smiles:C[C@@]12[C@H](CC[C@@]1([H])[C@]1([H])CCC3C=C(O)C=CC=3[C@@]1([H])CC2)O |&1:1,2,5,7,18,r|

Mass

MS-IW-4286          
estradiol-17beta
C18H24O2            (Mass of molecular ion:    272)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.8
      27.0       1.0
      29.0       1.2
      39.0       1.5
      41.0       4.1
      43.0       2.3
      53.0       1.9
      55.0       4.5
      57.0       1.3
      65.0       1.6
      67.0       2.9
      69.0       1.5
      77.0       4.9
      78.0       1.0
      79.0       5.7
      81.0       3.3
      83.0       1.1
      91.0       6.8
      92.0       1.4
      93.0       4.8
      94.0       1.7
      95.0       3.8
      97.0       1.4
     103.0       1.9
     105.0       5.1
     106.0       1.3
     107.0       8.4
     108.0       3.1
     109.0       1.5
     110.0       1.1
     115.0       5.4
     116.0       2.5
     117.0       3.2
     119.0       2.0
     120.0       4.6
     121.0       5.3
     122.0       1.0
     127.0       4.8
     128.0       3.4
     129.0       2.7
     131.0       7.7
     132.0       3.4
     133.0      21.3
     134.0       5.9
     135.0       1.4
     141.0       3.5
     142.0       1.0
     143.0       1.2
     144.0       7.2
     145.0      15.9
     146.0      33.4
     147.0      11.4
     148.0       1.7
     151.0       1.4
     152.0       1.4
     153.0       1.4
     155.0       1.0
     157.0      12.5
     158.0      13.3
     159.0      22.8
     160.0      34.6
     161.0       5.0
     165.0       2.0
     167.0       1.0
     169.0       1.2
     170.0       3.2
     171.0       6.3
     172.0      27.6
     173.0       7.4
     174.0       1.4
     175.0       3.6
     179.0       1.0
     181.0       1.5
     182.0       1.0
     183.0       3.4
     184.0       2.4
     185.0       8.7
     186.0      15.5
     187.0       3.2
     188.0       6.7
     189.0       1.3
     195.0       1.4
     196.0       1.2
     197.0       6.2
     198.0       3.2
     199.0       5.1
     200.0       3.2
     201.0       2.0
     202.0       1.0
     209.0       1.1
     211.0       6.4
     212.0       2.8
     213.0      34.4
     214.0       6.2
     215.0       4.6
     225.0       5.6
     226.0       7.0
     227.0       2.0
     228.0       4.5
     229.0       1.2
     235.0       1.5
     237.0       1.4
     239.0       3.3
     244.0       4.7
     250.0       1.3
     252.0       2.9
     253.0       4.2
     254.0      27.7
     255.0       5.6
     256.0       1.0
     270.0       1.6
     271.0       2.0
     272.0     100.0
     273.0      19.9
     274.0       2.3
     286.0       1.6