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5,11-Dioxo-6,10-diaza-2,14-dioxa-3,4 : 12,13-dibenzo-tricyclohexadeca-3,12-diene

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5,11-Dioxo-6,10-diaza-2,14-dioxa-3,4 : 12,13-dibenzo-tricyclohexadeca-3,12-diene
SpectraBase Compound ID 7VxbhducmNA
InChI InChI=1S/C20H22N2O4/c23-19-15-7-1-3-9-17(15)25-13-6-14-26-18-10-4-2-8-16(18)20(24)22-12-5-11-21-19/h1-4,7-10H,5-6,11-14H2,(H,21,23)(H,22,24)
InChIKey MTCLABSPCGPNDG-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PX8ZzQpqMn
Name 5,11-Dioxo-6,10-diaza-2,14-dioxa-3,4 : 12,13-dibenzo-tricyclohexadeca-3,12-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.157957192 u
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c23-19-15-7-1-3-9-17(15)25-13-6-14-26-18-10-4-2-8-16(18)20(24)22-12-5-11-21-19/h1-4,7-10H,5-6,11-14H2,(H,21,23)(H,22,24)
InChIKey MTCLABSPCGPNDG-UHFFFAOYSA-N
Molecular Weight 354.406 g/mol
SMILES C=12C(NCCCNC(=O)C3=C(OCCCOC2=CC=CC1)C=CC=C3)=O