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cis-4-[[(4-Phenylbutylamino]methyl]-N-(5-phenylpentyl)-cyclohexanamine-dihydrochloride
SpectraBase Compound ID Ke32bHvXnVf
InChI InChI=1S/C28H42N2/c1-4-12-25(13-5-1)16-8-3-10-23-30-28-20-18-27(19-21-28)24-29-22-11-9-17-26-14-6-2-7-15-26/h1-2,4-7,12-15,27-30H,3,8-11,16-24H2/t27-,28+
InChIKey BIJVAJUTBSXOFS-HNRBIFIRSA-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 8Zvglbr7qr5
Name cis-4-[[(4-Phenylbutylamino]methyl]-N-(5-phenylpentyl)-cyclohexanamine-dihydrochloride
Alternate Name(s) (1s,4s)-4-(((4-phenylbutyl)amino)methyl)-N-(5-phenylpentyl)cyclohexan-1-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42N2
InChI InChI=1S/C28H42N2/c1-4-12-25(13-5-1)16-8-3-10-23-30-28-20-18-27(19-21-28)24-29-22-11-9-17-26-14-6-2-7-15-26/h1-2,4-7,12-15,27-30H,3,8-11,16-24H2/t27-,28+
InChIKey BIJVAJUTBSXOFS-HNRBIFIRSA-N
Literature Reference DOI 10.1002/ardp.19873200910
Molecular Weight 406.658 g/mol
SMILES N(CCCCc1ccccc1)C[C@]1(CC[C@](CC1)(NCCCCCc1ccccc1)[H])[H]
SPLASH splash10-01ox-6930000000-41729bb5eaff59bea068
Source of Spectrum APC-320-834-8
Wiley ID 1788389