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N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE;AZ_3,4,3

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N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE;AZ_3,4,3
SpectraBase Compound ID 1qAxJCp4pwg
InChI InChI=1S/C16H31Cl4N5/c17-22-10-6-13-23(18)11-4-5-12-24(19)14-7-15-25(20)16-8-2-1-3-9-21-16/h22H,1-15H2
InChIKey GYSJDZKKSOTRLJ-UHFFFAOYSA-N
Mol Weight 435.3 g/mol
Molecular Formula C16H31Cl4N5
Exact Mass 433.133357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XL9aFlDGxB
Name N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE;AZ_3,4,3
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H31Cl4N5
InChI InChI=1S/C16H31Cl4N5/c17-22-10-6-13-23(18)11-4-5-12-24(19)14-7-15-25(20)16-8-2-1-3-9-21-16/h22H,1-15H2
InChIKey GYSJDZKKSOTRLJ-UHFFFAOYSA-N
Literature Reference Author S.TOMASI,J.RENAULT,B.MARTIN,S.DUHIEU,V.CEREC,M.LEROCH,P.URIA C,J.G.DELCROS
Literature Reference Citation J.MED.CHEM.,53,7647(2010)
Literature Reference DOI 10.1021/jm1007648
Molecular Weight 435.268 g/mol
Solvent D2O
Source File Reference UWMZ47590