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8,13-DIAZA-2,3-DIMETHOXYESTRA-1,3,5(10)-TRIEN-17-ON
SpectraBase Compound ID 9sZpWOOfhQZ
InChI InChI=1S/C17H22N2O3/c1-21-14-9-11-5-7-18-13(12(11)10-15(14)22-2)6-8-19-16(18)3-4-17(19)20/h9-10,13,16H,3-8H2,1-2H3
InChIKey XMBORYXHUFGCCB-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6K5yYFmtYcN
Name 2,3-Dimethoxy-8,13-diazaoestrone
Alternate Name(s) 8,9-Dimethoxy-3,3a,6,10b,11,12-hexahydro-5H-pyrrolo[2',1':2,3]pyrimido[6,1-a]isoquinolin-1(2H)-one
CAS Registry Number 24377-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-21-14-9-11-5-7-18-13(12(11)10-15(14)22-2)6-8-19-16(18)3-4-17(19)20/h9-10,13,16H,3-8H2,1-2H3
InChIKey XMBORYXHUFGCCB-UHFFFAOYSA-N
Molecular Weight 302.374 g/mol
SMILES C12N(CCC3c4c(CCN23)cc(c(c4)OC)OC)C(CC1)=O
SPLASH splash10-01ox-3901000000-e43249a5cd3c704e54a4
Source of Spectrum O-13-558-3
Wiley ID 1304708