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1-(p-Ethylphenoxy)-3,4-dihydroxyestrogen-o-Quinone

View entire compound with spectra: 1 MS (GC)

1-(p-Ethylphenoxy)-3,4-dihydroxyestrogen-o-Quinone
SpectraBase Compound ID AjnbMiDJqVt
InChI InChI=1S/C26H30O4/c1-3-15-4-6-16(7-5-15)30-22-14-21(27)25(29)19-9-8-17-18(24(19)22)12-13-26(2)20(17)10-11-23(26)28/h4-7,14,17-18,20,27,29H,3,8-13H2,1-2H3
InChIKey AJFGAIVVBATJFK-UHFFFAOYSA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3mtf6LlcoO
Name 1-(p-Ethylphenoxy)-3,4-dihydroxyestrogen-o-Quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-3-15-4-6-16(7-5-15)30-22-14-21(27)25(29)19-9-8-17-18(24(19)22)12-13-26(2)20(17)10-11-23(26)28/h4-7,14,17-18,20,27,29H,3,8-13H2,1-2H3
InChIKey AJFGAIVVBATJFK-UHFFFAOYSA-N
Molecular Weight 406.522 g/mol
SMILES Oc1cc(c2c(c1O)CCC1C2CCC2(C(CCC12)=O)C)Oc1ccc(cc1)CC
SPLASH splash10-0a4i-0610900000-9bb51cfb39e49e097f92
Source of Spectrum CRT-9-435-6
Wiley ID 1709595