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HOMO;1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEPTANE
SpectraBase Compound ID 3ZeXtqjNRcB
InChI InChI=1S/C4H8N6O6/c11-8(12)5-1-2-6(9(13)14)4-7(3-5)10(15)16/h1-4H2
InChIKey PWEBVDKVPUYMMO-UHFFFAOYSA-N
Mol Weight 236.14 g/mol
Molecular Formula C4H8N6O6
Exact Mass 236.050532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CFzsAho3OV
Name 1,3,5-Trinitro-1,3,5-triazepane
CAS Registry Number 5790-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H8N6O6
InChI InChI=1S/C4H8N6O6/c11-8(12)5-1-2-6(9(13)14)4-7(3-5)10(15)16/h1-4H2
InChIKey PWEBVDKVPUYMMO-UHFFFAOYSA-N
Molecular Weight 236.144 g/mol
SMILES C1N(CCN(CN1N(=O)=O)N(=O)=O)N(=O)=O
SPLASH splash10-0006-9100000000-f636ceb2c05f61fd55f2
Source of Spectrum O-25-18-4
Synonyms 1,3,6-Triazacycloheptane 1,3,6-trinitro-
Wiley ID 1237428