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N4-[3-(5-CHLORO-1-METHYL-1H-3-PYRAZOLYL)-2-QUINOXALINYL]-N',N'-DIETHYL-1,4-PENTANEDIAMINE
SpectraBase Compound ID 1kFH9mwMPCa
InChI InChI=1S/C21H29ClN6/c1-5-28(6-2)13-9-10-15(3)23-21-20(18-14-19(22)27(4)26-18)24-16-11-7-8-12-17(16)25-21/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,23,25)
InChIKey TWZDKPOEOBXVJR-UHFFFAOYSA-N
Mol Weight 400.96 g/mol
Molecular Formula C21H29ClN6
Exact Mass 400.214223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTcqd8FfBQ7
Name N4-[3-(5-CHLORO-1-METHYL-1H-3-PYRAZOLYL)-2-QUINOXALINYL]-N',N'-DIETHYL-1,4-PENTANEDIAMINE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29ClN6
InChI InChI=1S/C21H29ClN6/c1-5-28(6-2)13-9-10-15(3)23-21-20(18-14-19(22)27(4)26-18)24-16-11-7-8-12-17(16)25-21/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,23,25)
InChIKey TWZDKPOEOBXVJR-UHFFFAOYSA-N
Literature Reference Author B.MATUSZCZAK,K.MEREITER
Literature Reference Citation HETEROCYCLES,45,2449(1997)
Literature Reference DOI 10.3987/COM-97-7965
Molecular Weight 400.954 g/mol
Solvent CDCl3
Source File Reference UWCP7582