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N,N'-Bis-(4-phenylbutyl)-3,4-bis-(4-phenylbutylaminomethyl)-hexane-1,6-diamine-tetrahydrochloride
SpectraBase Compound ID KtJplhNABKe
InChI InChI=1S/C48H70N4.4Cl/c1-5-21-43(22-6-1)29-13-17-35-49-39-33-47(41-51-37-19-15-31-45-25-9-3-10-26-45)48(42-52-38-20-16-32-46-27-11-4-12-28-46)34-40-50-36-18-14-30-44-23-7-2-8-24-44;;;;/h1-12,21-28,47-52H,13-20,29-42H2;;;;
InChIKey DXRUOYLQBXCWHT-UHFFFAOYSA-N
Mol Weight 844.93 g/mol
Molecular Formula C48H70Cl4N4
Exact Mass 842.435459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19EDXhvlDkL
Name N,N'-Bis-(4-phenylbutyl)-3,4-bis-(4-phenylbutylaminomethyl)-hexane-1,6-diamine-tetrahydrochloride
Alternate Name(s) N1,N6-bis(4-phenylbutyl)-3,4-bis(((4-phenylbutyl)amino)methyl)hexane-1,6-diamine tetrahydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H74Cl4N4
InChI InChI=1S/C48H70N4.4Cl/c1-5-21-43(22-6-1)29-13-17-35-49-39-33-47(41-51-37-19-15-31-45-25-9-3-10-26-45)48(42-52-38-20-16-32-46-27-11-4-12-28-46)34-40-50-36-18-14-30-44-23-7-2-8-24-44;;;;/h1-12,21-28,47-52H,13-20,29-42H2;;;;
InChIKey DXRUOYLQBXCWHT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19913240411
Molecular Weight 848.960 g/mol
SMILES Cl.N(CCC(C(CNCCCCc1ccccc1)CCNCCCCc1ccccc1)CNCCCCc1ccccc1)CCCCc1ccccc1.Cl.Cl.Cl
SPLASH splash10-0udi-3490110000-c396e58c9122ac15934c
Source of Spectrum APC-324-247-28
Wiley ID 1799020