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8,13-DIAZA-2,3-DIMETHOXYESTRA-1,3,5(10)-TRIEN-17-ON

View entire compound with spectra: 2 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlmU0gRgKbi
Name 8,13-Diaza-2,3-dimethoxy-estra-1,3,5(10)-trien-17-one
CAS Registry Number 66514-26-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference C. Verchere, D. Rousselle, C. Viel, Org. Magn. Resonance 11, 395 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3