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1,3,5-tri-(15)N-nitro-1,3,5-triazacyclohexane
SpectraBase Compound ID 8r33x7y3BNo
InChI InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2/i4+1,5+1,6+1
InChIKey XTFIVUDBNACUBN-VMGGCIAMSA-N
Mol Weight 225.1 g/mol
Molecular Formula C3H6N315N3O6
Exact Mass 225.025987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95X8DGXjcea
Name 1,3,5-tri-(15)N-nitro-1,3,5-triazacyclohexane
CAS Registry Number 34729-67-4
Comments Original formula: C3H6N3[15N]3O6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H6N6O6
InChI InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2/i4+1,5+1,6+1
InChIKey XTFIVUDBNACUBN-VMGGCIAMSA-N
Molecular Weight 225.096 g/mol
SMILES C1[15N](N(=O)=O)C[15N](C[15N]1N(=O)=O)N(=O)=O
SPLASH splash10-003s-9200000000-f1bd5900f0595f0995f9
Source of Spectrum O-3-16-2
Wiley ID 28699