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6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione
SpectraBase Compound ID 9x1eX4PX2Mw
InChI InChI=1S/C13H17N3O4/c17-12-10-2-1-3-11(16-10)13(18)15-5-7-20-9-8-19-6-4-14-12/h1-3H,4-9H2,(H,14,17)(H,15,18)
InChIKey AHXQSQFHXUVYPY-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C13H17N3O4
Exact Mass 279.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID guxA4EV8E2
Name 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,12-dione
CAS Registry Number 54945-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O4
InChI InChI=1S/C13H17N3O4/c17-12-10-2-1-3-11(16-10)13(18)15-5-7-20-9-8-19-6-4-14-12/h1-3H,4-9H2,(H,14,17)(H,15,18)
InChIKey AHXQSQFHXUVYPY-UHFFFAOYSA-N
Molecular Weight 279.296 g/mol
SMILES N1CCOCCOCCNC(c2cccc(C1=O)n2)=O
SPLASH splash10-0059-4930000000-dc50270e428ed53152d4
Synonyms 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione 6,9-Dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-quinone
Wiley ID 1491874