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2,2,6,6-Tetramethyl-4-[N(2)-(2'-chloroethyl)-N(2)-nitroso-N(1)-methylureido]-1-oxo-perhydropyridinium perchlorate
SpectraBase Compound ID HUHnqsC6wpg
InChI InChI=1S/C13H24ClN4O3.ClHO4/c1-12(2)8-10(9-13(3,4)18(12)21)16(5)11(19)17(15-20)7-6-14;2-1(3,4)5/h10H,6-9H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey HPEBJMZETIXOPY-UHFFFAOYSA-M
Mol Weight 419.26 g/mol
Molecular Formula C13H24Cl2N4O7
Exact Mass 418.102205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNRV82LF9oV
Name 2,2,6,6-Tetramethyl-4-[N(2)-(2'-chloroethyl)-N(2)-nitroso-N(1)-methylureido]-1-oxo-perhydropyridinium perchlorate
Alternate Name(s) 4-[{[1-(2-chloroethyl)-2-oxohydrazino]carbonyl}(methyl)amino]-2,2,6,6-tetramethyl-1-oxopiperidinium perchlorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24Cl2N4O7
InChI InChI=1S/C13H24ClN4O3.ClHO4/c1-12(2)8-10(9-13(3,4)18(12)21)16(5)11(19)17(15-20)7-6-14;2-1(3,4)5/h10H,6-9H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey HPEBJMZETIXOPY-UHFFFAOYSA-M
Molecular Weight 419.262 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.C1([N+](C(CC(C1)N(C(N(N=O)CCCl)=O)C)(C)C)=O)(C)C
SPLASH splash10-0006-9100000000-a152441980ffc9e5bfa9
Source of Spectrum QF-42-505-12
Wiley ID 832966