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N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-SPERMIDINE_HYDROCHLORIDE;BZAZ_3,4
SpectraBase Compound ID 1WeNfnAKbhe
InChI InChI=1S/C17H25Cl3N4/c18-21-11-3-4-12-23(19)13-6-14-24(20)17-10-5-8-15-7-1-2-9-16(15)22-17/h1-2,7,9,21H,3-6,8,10-14H2
InChIKey KXPQLCXHXAIIIC-UHFFFAOYSA-N
Mol Weight 391.77 g/mol
Molecular Formula C17H25Cl3N4
Exact Mass 390.11448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gh0rpQB4bF
Name N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-SPERMIDINE_HYDROCHLORIDE;BZAZ_3,4
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25Cl3N4
InChI InChI=1S/C17H25Cl3N4/c18-21-11-3-4-12-23(19)13-6-14-24(20)17-10-5-8-15-7-1-2-9-16(15)22-17/h1-2,7,9,21H,3-6,8,10-14H2
InChIKey KXPQLCXHXAIIIC-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 391.771 g/mol
Solvent D2O
Source File Reference UWMZ47592