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Diethyl 2,6-dimethylpyridine-4-(2"-methylpropyl)-3,5-dicarboxylate - 2',4',6'-trinitrophenol salt
SpectraBase Compound ID k6cMdysTCa
InChI InChI=1S/C17H25NO4.C6H3N3O7/c1-7-21-16(19)14-11(5)18-12(6)15(17(20)22-8-2)13(14)9-10(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,7-9H2,1-6H3;1-2,10H
InChIKey HHBWJXFCIMTGCQ-UHFFFAOYSA-N
Mol Weight 536.49 g/mol
Molecular Formula C23H28N4O11
Exact Mass 536.175458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwZfttlq0p5
Name Diethyl 2,6-dimethylpyridine-4-(2"-methylpropyl)-3,5-dicarboxylate - 2',4',6'-trinitrophenol salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N4O11
InChI InChI=1S/C17H25NO4.C6H3N3O7/c1-7-21-16(19)14-11(5)18-12(6)15(17(20)22-8-2)13(14)9-10(3)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,7-9H2,1-6H3;1-2,10H
InChIKey HHBWJXFCIMTGCQ-UHFFFAOYSA-N
Molecular Weight 536.494 g/mol
SMILES c1(c(c(C(=O)OCC)c(nc1C)C)CC(C)C)C(=O)OCC.Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O
SPLASH splash10-08i0-0090000000-f27277eb6865365885bd
Source of Spectrum SK-29-4197-2
Synonyms Diethyl 2,6-dimethylpyridine-4-(2''-methylpropyl)-3,5-dicarboxylate-2',4',6'-trinitrophenol salt 2,6-Dimethyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarboxylic acid diethyl ester;2,4,6-trinitrophenolate Diethyl 4-isobutyl-2,6-dimethyl-pyridin-1-ium-3,5-dicarboxylate;2,4,6-trinitrophenolate Diethyl 2,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarboxylate;2,4,6-trinitrophenolate
Wiley ID 880995