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8,13-Diaza-2,3-dimethoxyestra-1,3,5(10)-trien-17-on

View entire compound with spectra: 2 NMR, 1 FTIR, 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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BOGRo1XSv2n
Name 8,13-Diaza-2,3-dimethoxyestra-1,3,5(10)-trien-17-on
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.163042573 u
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
SMILES C12N(CCC3N2CCC2=C3C=C(C(=C2)OC)OC)C(CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915275