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1,5,9-Triazacyclododecane-2,6,10-trione

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1,5,9-Triazacyclododecane-2,6,10-trione
SpectraBase Compound ID 36EL3TdmGR2
InChI InChI=1S/C9H15N3O3/c13-7-1-4-10-8(14)3-6-12-9(15)2-5-11-7/h1-6H2,(H,10,14)(H,11,13)(H,12,15)
InChIKey WENOSTKXLDUSML-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C9H15N3O3
Exact Mass 213.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXZTHW1TMes
Name 1,5,9-Triazacyclododecane-2,6,10-trione
CAS Registry Number 10491-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15N3O3
InChI InChI=1S/C9H15N3O3/c13-7-1-4-10-8(14)3-6-12-9(15)2-5-11-7/h1-6H2,(H,10,14)(H,11,13)(H,12,15)
InChIKey WENOSTKXLDUSML-UHFFFAOYSA-N
Molecular Weight 213.237 g/mol
SMILES N1CCC(NCCC(NCCC1=O)=O)=O
SPLASH splash10-002r-0910000000-1563c87ed1cb3c6f5353
Source of Spectrum O7-0-779-0
Synonyms Cyclo-(tri-b-alanyl)
Wiley ID 1212390