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ESTRA-4,6-DIENE-3,17-DIONE(3,17-O-METHYLOXIME)
SpectraBase Compound ID IBJ14GvGbc0
InChI InChI=1S/C20H28N2O2/c1-20-11-10-16-15-7-5-14(21-23-2)12-13(15)4-6-17(16)18(20)8-9-19(20)22-24-3/h4,6,12,15-18H,5,7-11H2,1-3H3/b21-14-,22-19-
InChIKey RACJPFHXSAVMTK-YKTIISRNSA-N
Mol Weight 328.46 g/mol
Molecular Formula C20H28N2O2
Exact Mass 328.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtP2XQzrg8b
Name ESTRA-4,6-DIENE-3,17-DIONE(3,17-O-METHYLOXIME)
Alternate Name(s) ESTRA-4,6-DIENE-3,17-DIONE BIS(O-METHYLOXIME)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28N2O2
InChI InChI=1S/C20H28N2O2/c1-20-11-10-16-15-7-5-14(21-23-2)12-13(15)4-6-17(16)18(20)8-9-19(20)22-24-3/h4,6,12,15-18H,5,7-11H2,1-3H3/b21-14-,22-19-
InChIKey RACJPFHXSAVMTK-YKTIISRNSA-N
Nominal Mass 328 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(C=CC4=C\C(=N/OC)CCC34)C1CC\C2=N/OC
SPLASH splash10-004i-4932000000-7ce94982ea6a0fb215af
Source File Reference LMCM-86879-219P
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK