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N,N'-Bis-(4-phenylbutyl)-1,3-adamantane-diethanamine-dihydrochloride
SpectraBase Compound ID B3GMcTH5zWE
InChI InChI=1S/C34H50N2/c1-3-11-29(12-4-1)15-7-9-19-35-21-17-33-24-31-23-32(25-33)27-34(26-31,28-33)18-22-36-20-10-8-16-30-13-5-2-6-14-30/h1-6,11-14,31-32,35-36H,7-10,15-28H2/t31-,32+,33-,34+
InChIKey FGKWFVMATOFFSI-UHFFFAOYSA-N
Mol Weight 486.8 g/mol
Molecular Formula C34H50N2
Exact Mass 486.3974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Iw8lWSd8KU
Name N,N'-Bis-(4-phenylbutyl)-1,3-adamantane-diethanamine-dihydrochloride
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H50N2
InChI InChI=1S/C34H50N2/c1-3-11-29(12-4-1)15-7-9-19-35-21-17-33-24-31-23-32(25-33)27-34(26-31,28-33)18-22-36-20-10-8-16-30-13-5-2-6-14-30/h1-6,11-14,31-32,35-36H,7-10,15-28H2/t31-,32+,33-,34+
InChIKey FGKWFVMATOFFSI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19873200910
Molecular Weight 486.788 g/mol
SMILES N(CCCCc1ccccc1)CC[C@@]12C[C@@]3(C[C@@](C[C@](CCNCCCCc4ccccc4)(C1)C3)(C2)[H])[H]
SPLASH splash10-0006-9702000000-a08fc0431ae07d1e261e
Source of Spectrum APC-320-836-15
Synonyms N,N'-(((1s,3s,5r,7r)-adamantane-1,3-diyl)bis(ethane-2,1-diyl))bis(4-phenylbutan-1-amine)
Wiley ID 1788379