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N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-AZANONANE-1,9-DIAMINE_HYDROCHLORIDE;AZ_3,5

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N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-AZANONANE-1,9-DIAMINE_HYDROCHLORIDE;AZ_3,5
SpectraBase Compound ID 6jLmVdHoWub
InChI InChI=1S/C14H27Cl3N4/c15-19-10-5-2-6-11-20(16)12-7-13-21(17)14-8-3-1-4-9-18-14/h19H,1-13H2
InChIKey SFIMCKHXFLRAQJ-UHFFFAOYSA-N
Mol Weight 357.76 g/mol
Molecular Formula C14H27Cl3N4
Exact Mass 356.13013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMHb8tmEnKm
Name N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-AZANONANE-1,9-DIAMINE_HYDROCHLORIDE;AZ_3,5
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H27Cl3N4
InChI InChI=1S/C14H27Cl3N4/c15-19-10-5-2-6-11-20(16)12-7-13-21(17)14-8-3-1-4-9-18-14/h19H,1-13H2
InChIKey SFIMCKHXFLRAQJ-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 357.754 g/mol
Solvent D2O
Source File Reference UWMZ47589