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N-(1)-(7-METHOXY-4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE
SpectraBase Compound ID 6NzmrfnhyIP
InChI InChI=1S/C21H33Cl4N5O/c1-31-19-9-10-20-18(17-19)7-4-8-21(27-20)30(25)16-6-15-29(24)13-3-2-12-28(23)14-5-11-26-22/h9-10,17,26H,2-8,11-16H2,1H3
InChIKey LLRCXYIAWSTTFP-UHFFFAOYSA-N
Mol Weight 513.3 g/mol
Molecular Formula C21H33Cl4N5O
Exact Mass 511.143922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhEcqBwYXoN
Name N-(1)-(7-METHOXY-4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-SPERMINE_HYDROCHLORIDE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33Cl4N5O
InChI InChI=1S/C21H33Cl4N5O/c1-31-19-9-10-20-18(17-19)7-4-8-21(27-20)30(25)16-6-15-29(24)13-3-2-12-28(23)14-5-11-26-22/h9-10,17,26H,2-8,11-16H2,1H3
InChIKey LLRCXYIAWSTTFP-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 513.338 g/mol
Solvent D2O
Source File Reference UWMZ47595