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3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE,(ESTRONE)
SpectraBase Compound ID CZbrDb0KL3w
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
InChIKey DNXHEGUUPJUMQT-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6adEuKZhLoO
Name 3-HYDROXY-ESTRA-1,3,5(10)-TRIENE-17-ONE
Alternate Name(s) 3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
InChIKey DNXHEGUUPJUMQT-UHFFFAOYSA-N
Nominal Mass 270 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3c4c(cc(cc4)O)CCC3C2CCC1=O
SPLASH splash10-00di-2980000000-810ebd24e663a3ba6d24
Source File Reference LMCM-70272-839P
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany