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4'-CHLORO-4-[1,4-DIHYDRO-3,5-DINITRO-1-METHYL-6-(METHYLAMINO)-2-PYRIDYL]-1-PIPERAZINECARBOXANILIDE
SpectraBase Compound ID 1dyzUud7iMg
InChI InChI=1S/C18H22ClN7O5/c1-20-16-14(25(28)29)11-15(26(30)31)17(22(16)2)23-7-9-24(10-8-23)18(27)21-13-5-3-12(19)4-6-13/h3-6,20H,7-11H2,1-2H3,(H,21,27)
InChIKey GBWBPBIQHKBUHK-UHFFFAOYSA-N
Mol Weight 451.87 g/mol
Molecular Formula C18H22ClN7O5
Exact Mass 451.137095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L7yP3dakwSp
Name 4'-CHLORO-4-[1,4-DIHYDRO-3,5-DINITRO-1-METHYL-6-(METHYLAMINO)-2-PYRIDYL]-1-PIPERAZINECARBOXANILIDE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClN7O5
InChI InChI=1S/C18H22ClN7O5/c1-20-16-14(25(28)29)11-15(26(30)31)17(22(16)2)23-7-9-24(10-8-23)18(27)21-13-5-3-12(19)4-6-13/h3-6,20H,7-11H2,1-2H3,(H,21,27)
InChIKey GBWBPBIQHKBUHK-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 235C (dec.)
Molecular Weight 451.87
Solvent DMSO-d6; Reference=TMS; Temperature 297K