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N,N'-Bis-(4-phenylbutyl)-trans-1,2-cyclohexanedimethanamine-dihydrochloride
SpectraBase Compound ID CWnqSzyr4nl
InChI InChI=1S/C28H42N2/c1-3-13-25(14-4-1)17-9-11-21-29-23-27-19-7-8-20-28(27)24-30-22-12-10-18-26-15-5-2-6-16-26/h1-6,13-16,27-30H,7-12,17-24H2/t27-,28-/m0/s1
InChIKey DOGKPDBYMHGKSP-NSOVKSMOSA-N
Mol Weight 406.7 g/mol
Molecular Formula C28H42N2
Exact Mass 406.334799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XiLijxWia3
Name N,N'-Bis-(4-phenylbutyl)-trans-1,2-cyclohexanedimethanamine-dihydrochloride
Alternate Name(s) N,N'-(((1R,2R)-cyclohexane-1,2-diyl)bis(methylene))bis(4-phenylbutan-1-amine)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42N2
InChI InChI=1S/C28H42N2/c1-3-13-25(14-4-1)17-9-11-21-29-23-27-19-7-8-20-28(27)24-30-22-12-10-18-26-15-5-2-6-16-26/h1-6,13-16,27-30H,7-12,17-24H2/t27-,28-/m0/s1
InChIKey DOGKPDBYMHGKSP-NSOVKSMOSA-N
Literature Reference DOI 10.1002/ardp.19873200910
Molecular Weight 406.658 g/mol
SMILES N(C[C@]1([C@](CNCCCCc2ccccc2)(CCCC1)[H])[H])CCCCc1ccccc1
SPLASH splash10-03dl-4900100000-e76880237c00da917f7a
Source of Spectrum APC-320-835-10
Wiley ID 1788376