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N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-OCTANE-1,8-DIAMINE_HYDROCHLORIDE;BZAZ_4
SpectraBase Compound ID 7ge0JXCR3oe
InChI InChI=1S/C18H27Cl2N3/c19-21-14-7-3-1-2-4-8-15-23(20)18-13-9-11-16-10-5-6-12-17(16)22-18/h5-6,10,12,21H,1-4,7-9,11,13-15H2
InChIKey HDXHPFCQYRLNTR-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C18H27Cl2N3
Exact Mass 355.158203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfBIclCovQK
Name N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-OCTANE-1,8-DIAMINE_HYDROCHLORIDE;BZAZ_4
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27Cl2N3
InChI InChI=1S/C18H27Cl2N3/c19-21-14-7-3-1-2-4-8-15-23(20)18-13-9-11-16-10-5-6-12-17(16)22-18/h5-6,10,12,21H,1-4,7-9,11,13-15H2
InChIKey HDXHPFCQYRLNTR-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 356.338 g/mol
Solvent D2O
Source File Reference UWMZ47591