DIENESTROL(84-17-3) MS

Product NameDIENESTROL

CAS 84-17-3

Molecular FormulaC18H18O2

Molecular Weight266.33

InChIInChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3

InChIKey NFDFQCUYFHCNBW-UHFFFAOYSA-N

SmilesC(C1=CC=C(O)C=C1)(=CC)C(C1=CC=C(O)C=C1)=CC

Request For Quotation

Mass

MS2004-02324WA      
4,4'-(diethylideneethylene)diphenol
C18H18O2            (Mass of molecular ion:    266)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      18.0       1.8
      39.0       2.0
      43.0       1.0
      51.0       1.7
      55.0       2.7
      63.0       1.6
      65.0       2.7
      76.0       1.3
      77.0       8.3
      78.0       1.5
      79.0       2.7
      88.0       1.0
      89.0       2.9
      91.0       4.5
      94.0       1.8
      94.5       1.3
      95.0       1.0
      97.0       1.2
     101.0       2.5
     102.0       1.4
     103.0       5.2
     104.0       1.3
     105.0       4.5
     107.0      16.0
     108.0       1.5
     109.0       1.9
     115.0       8.4
     116.0       2.9
     117.0       1.6
     118.0       4.0
     119.0       2.6
     121.0      24.9
     122.0       2.3
     125.0       1.5
     125.5       1.0
     127.0       4.9
     128.0       4.6
     129.0       2.6
     131.0       6.4
     132.0       2.1
     133.0       7.9
     134.0       1.2
     139.0       1.5
     141.0       1.6
     143.0       1.4
     144.0       4.3
     145.0      22.1
     146.0       2.9
     151.0       1.4
     152.0       4.5
     153.0       2.2
     155.0       1.4
     157.0       9.0
     158.0       6.7
     159.0       4.7
     160.0       1.1
     165.0       4.5
     166.0       1.2
     171.0       2.9
     172.0       6.5
     173.0       8.0
     174.0       1.1
     176.0       1.3
     177.0       1.2
     178.0       2.6
     179.0       1.5
     181.0       4.8
     182.0       1.2
     189.0       3.2
     190.0       1.9
     191.0       2.6
     194.0       2.7
     195.0       2.5
     201.0       2.0
     202.0       2.8
     203.0       1.9
     205.0       2.4
     206.0       1.1
     207.0       4.5
     208.0       3.4
     209.0       4.1
     210.0      14.4
     211.0       2.9
     215.0       2.7
     218.0       5.1
     219.0       5.4
     220.0       1.9
     221.0       2.3
     222.0       1.9
     223.0       5.4
     224.0       1.5
     231.0       2.2
     232.0       1.6
     233.0       4.8
     234.0       4.2
     235.0       4.1
     236.0      13.3
     237.0      35.3
     238.0       7.6
     239.0       3.6
     247.0       1.4
     248.0       1.0
     249.0       7.4
     250.0       6.8
     251.0      50.4
     252.0       9.6
     253.0       1.4
     264.0       2.5
     265.0       7.5
     266.0     100.0
     267.0      19.6
     268.0       2.3
     282.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₈ O₂	0.037 g : 0.5 ml DMSO-d₆
4,4'-(diethylideneethylene)diphenol

    Assign.     Shift(ppm)

      A             7.458
      B             7.305
      C             5.779
      D             1.974

     Hz     ppm     Int.

   2985.60   7.471    592
   2981.08   7.460     94
   2977.17   7.450    783
   2923.34   7.315    776
   2914.79   7.294    630
   2319.82   5.805     70
   2316.89   5.798     38
   2313.11   5.788    251
   2309.57   5.779     47
   2306.40   5.772    246
   2302.49   5.762     36
   2301.51   5.759     36
   2299.56   5.754     68
   2299.32   5.754     68
    800.42   2.003     34
    799.93   2.002     37
    792.36   1.983   1000
    785.77   1.967    946

in CDCl3

in DMSO-d6