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N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE;BZAZ_3,4,3
SpectraBase Compound ID 1sDdcT96rBS
InChI InChI=1S/C20H31Cl4N5/c21-25-12-6-15-27(22)13-3-4-14-28(23)16-7-17-29(24)20-11-5-9-18-8-1-2-10-19(18)26-20/h1-2,8,10,25H,3-7,9,11-17H2
InChIKey LZPJHQDOYZFGFN-UHFFFAOYSA-N
Mol Weight 483.3 g/mol
Molecular Formula C20H31Cl4N5
Exact Mass 481.133357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HPmTjK38w
Name N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE;BZAZ_3,4,3
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31Cl4N5
InChI InChI=1S/C20H31Cl4N5/c21-25-12-6-15-27(22)13-3-4-14-28(23)16-7-17-29(24)20-11-5-9-18-8-1-2-10-19(18)26-20/h1-2,8,10,25H,3-7,9,11-17H2
InChIKey LZPJHQDOYZFGFN-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 483.312 g/mol
Solvent D2O
Source File Reference UWMZ47593