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3-(1,4,7-Trioxa-10-azacyclododecane-10-carbonyl)-6,7-dimethoxy-1-methylquinoxaline-2(1H)-one

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

3-(1,4,7-Trioxa-10-azacyclododecane-10-carbonyl)-6,7-dimethoxy-1-methylquinoxaline-2(1H)-one
SpectraBase Compound ID KF0PvK4iAyP
InChI InChI=1S/C20H27N3O7/c1-22-15-13-17(27-3)16(26-2)12-14(15)21-18(19(22)24)20(25)23-4-6-28-8-10-30-11-9-29-7-5-23/h12-13H,4-11H2,1-3H3
InChIKey XQGUYZTWVXYBOY-UHFFFAOYSA-N
Mol Weight 421.45 g/mol
Molecular Formula C20H27N3O7
Exact Mass 421.1849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JghjUJYwTud
Name 3-(1,4,7-Trioxa-10-azacyclododecane-10-carbonyl)-6,7-dimethoxy-1-methylquinoxaline-2(1H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.184900214 u
Formula C20H27N3O7
InChI InChI=1S/C20H27N3O7/c1-22-15-13-17(27-3)16(26-2)12-14(15)21-18(19(22)24)20(25)23-4-6-28-8-10-30-11-9-29-7-5-23/h12-13H,4-11H2,1-3H3
InChIKey XQGUYZTWVXYBOY-UHFFFAOYSA-N
Molecular Weight 421.450 g/mol
SMILES C1(=NC=2C=C(OC)C(=CC2N(C1=O)C)OC)C(N1CCOCCOCCOCC1)=O