5-(Ethoxycarbonyl)-1,3-(t-butyl)-5-(2'-pyridyl)-hexahydropyrimidinium - perchlorate - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	A1JSWGiWae3
InChI	InChI=1S/C20H33N3O2.ClHO4/c1-8-25-17(24)20(16-11-9-10-12-21-16)13-22(18(2,3)4)15-23(14-20)19(5,6)7;2-1(3,4)5/h9-12H,8,13-15H2,1-7H3;(H,2,3,4,5)
InChIKey	NTYVPWVKFXEVGT-UHFFFAOYSA-N Google Search
Mol Weight	448.0 g/mol
Molecular Formula	C20H34ClN3O6
Exact Mass	447.213614 g/mol

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SpectraBase Spectrum ID	Cd5l0dB5FKJ
Name	5-(Ethoxycarbonyl)-1,3-(t-butyl)-5-(2'-pyridyl)-hexahydropyrimidinium - perchlorate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H34ClN3O6
InChI	InChI=1S/C20H33N3O2.ClHO4/c1-8-25-17(24)20(16-11-9-10-12-21-16)13-22(18(2,3)4)15-23(14-20)19(5,6)7;2-1(3,4)5/h9-12H,8,13-15H2,1-7H3;(H,2,3,4,5)
InChIKey	NTYVPWVKFXEVGT-UHFFFAOYSA-N
Molecular Weight	447.960 g/mol
SMILES	[Cl]([O-])(=O)(=O)=O.[NH+]1(CN(CC(C1)(C(=O)OCC)c1ncccc1)C(C)(C)C)C(C)(C)C
SPLASH	splash10-0knc-9200000000-be70d7c36d5c876722a5
Source of Spectrum	D8-328-568-22
Wiley ID	1516014