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N-(8)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-SPERMIDINE_HYDROCHLORIDE;AZ_4,3

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N-(8)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-SPERMIDINE_HYDROCHLORIDE;AZ_4,3
SpectraBase Compound ID DdgpGIJBDEz
InChI InChI=1S/C13H25Cl3N4/c14-18-9-6-11-19(15)10-4-5-12-20(16)13-7-2-1-3-8-17-13/h18H,1-12H2
InChIKey HCMNLBNEJYKDRA-UHFFFAOYSA-N
Mol Weight 343.73 g/mol
Molecular Formula C13H25Cl3N4
Exact Mass 342.11448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwCj3jSIy7B
Name N-(8)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-SPERMIDINE_HYDROCHLORIDE;AZ_4,3
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H25Cl3N4
InChI InChI=1S/C13H25Cl3N4/c14-18-9-6-11-19(15)10-4-5-12-20(16)13-7-2-1-3-8-17-13/h18H,1-12H2
InChIKey HCMNLBNEJYKDRA-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 343.727 g/mol
Solvent D2O
Source File Reference UWMZ47587