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N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-HOMOSPERMIDINE_HYDROCHLORIDE;AZ_4,4

View entire compound with spectra: 1 NMR

N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-HOMOSPERMIDINE_HYDROCHLORIDE;AZ_4,4
SpectraBase Compound ID FiAAW98ysLM
InChI InChI=1S/C14H27Cl3N4/c15-19-10-4-5-11-20(16)12-6-7-13-21(17)14-8-2-1-3-9-18-14/h19H,1-13H2
InChIKey DCFBTFCFDFOTJB-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 I3Yq9RTBRLP
Name N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-HOMOSPERMIDINE_HYDROCHLORIDE;AZ_4,4
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H27Cl3N4
InChI InChI=1S/C14H27Cl3N4/c15-19-10-4-5-11-20(16)12-6-7-13-21(17)14-8-2-1-3-9-18-14/h19H,1-13H2
InChIKey DCFBTFCFDFOTJB-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 UWMZ47588