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N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-HOMOSPERMINE_HYDROCHLORIDE;BZAZ_4,4,4
SpectraBase Compound ID LT1CThSXVBZ
InChI InChI=1S/C22H35Cl4N5/c23-27-14-3-4-15-29(24)16-5-6-17-30(25)18-7-8-19-31(26)22-13-9-11-20-10-1-2-12-21(20)28-22/h1-2,10,12,27H,3-9,11,13-19H2
InChIKey LERJLBNAUZKPRC-UHFFFAOYSA-N
Mol Weight 511.4 g/mol
Molecular Formula C22H35Cl4N5
Exact Mass 509.164657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZbVW0ld5FC
Name N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-HOMOSPERMINE_HYDROCHLORIDE;BZAZ_4,4,4
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35Cl4N5
InChI InChI=1S/C22H35Cl4N5/c23-27-14-3-4-15-29(24)16-5-6-17-30(25)18-7-8-19-31(26)22-13-9-11-20-10-1-2-12-21(20)28-22/h1-2,10,12,27H,3-9,11,13-19H2
InChIKey LERJLBNAUZKPRC-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 511.365 g/mol
Solvent D2O
Source File Reference UWMZ47599