Tris[2-(oxoethyl-N-methylimidazolium)]triazine Triiodide

SpectraBase Compound ID	Gp4yozP8YRW
InChI	InChI=1S/C21H30N9O3.3HI/c1-25-4-7-28(16-25)10-13-31-19-22-20(32-14-11-29-8-5-26(2)17-29)24-21(23-19)33-15-12-30-9-6-27(3)18-30;;;/h4-9,16-18H,10-15H2,1-3H3;3*1H/q+3;;;/p-3
InChIKey	OQZZHUYTOXVFED-UHFFFAOYSA-K Google Search
Mol Weight	837.24442 g/mol
Molecular Formula	C21H30I3N9O3
Exact Mass	836.960571 g/mol

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SpectraBase Spectrum ID	J3c4v4Szht5
Name	Tris[2-(oxoethyl-N-methylimidazolium)]triazine Triiodide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H30I3N9O3
InChI	InChI=1S/C21H30N9O3.3HI/c1-25-4-7-28(16-25)10-13-31-19-22-20(32-14-11-29-8-5-26(2)17-29)24-21(23-19)33-15-12-30-9-6-27(3)18-30;;;/h4-9,16-18H,10-15H2,1-3H3;3*1H/q+3;;;/p-3
InChIKey	OQZZHUYTOXVFED-UHFFFAOYSA-K
Molecular Weight	837.244 g/mol
SMILES	[I-].c1(nc(nc(n1)OCC[n]1c[n+](C)cc1)OCC[n]1c[n+](C)cc1)OCC[n]1c[n+](C)cc1.[I-].[I-]
SPLASH	splash10-0bu9-2900520500-b4a101e5b8fed427afb3
Source of Spectrum	OV-23-789-9
Wiley ID	1577996