John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ll17jYHLHNB SpectraBase Spectrum ID=2v4QfTlqjQ3

(accessed ).
(6-R,7-S)-N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-6,7-DIHYDROXYSPERMINE_HYDROCHLORIDE
SpectraBase Compound ID Ll17jYHLHNB
InChI InChI=1S/C20H31Cl4N5O2/c21-25-10-4-11-27(22)14-18(30)19(31)15-28(23)12-5-13-29(24)20-9-3-7-16-6-1-2-8-17(16)26-20/h1-2,6,8,18-19,25,30-31H,3-5,7,9-15H2
InChIKey IDOFFQXBPSVXCH-UHFFFAOYSA-N
Mol Weight 515.3 g/mol
Molecular Formula C20H31Cl4N5O2
Exact Mass 513.123186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v4QfTlqjQ3
Name (6-R,7-S)-N-(1)-(4,5-DIHYDRO-3-H-1-BENZAZEPIN-2-YL)-6,7-DIHYDROXYSPERMINE_HYDROCHLORIDE
Compound Number 24
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31Cl4N5O2
InChI InChI=1S/C20H31Cl4N5O2/c21-25-10-4-11-27(22)14-18(30)19(31)15-28(23)12-5-13-29(24)20-9-3-7-16-6-1-2-8-17(16)26-20/h1-2,6,8,18-19,25,30-31H,3-5,7,9-15H2
InChIKey IDOFFQXBPSVXCH-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 515.310 g/mol
Solvent D2O
Source File Reference UWMZ47600
SpectraBase Batch ID 5XZ8or8CKc6