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(R,R)-3,6-Diethyl-4(R),5(R)-di-[1(S)-phenylethylamino]octane
SpectraBase Compound ID DtxzNTc4fJG
InChI InChI=1S/C28H44N2/c1-7-23(8-2)27(29-21(5)25-17-13-11-14-18-25)28(24(9-3)10-4)30-22(6)26-19-15-12-16-20-26/h11-24,27-30H,7-10H2,1-6H3/t21-,22-,27+,28+/m0/s1
InChIKey ZIJWBIDADPPCTC-SHRQFBHGSA-N
Mol Weight 408.7 g/mol
Molecular Formula C28H44N2
Exact Mass 408.350449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uGGVae2xFH
Name (R,R)-3,6-Diethyl-4(R),5(R)-di-[1(S)-phenylethylamino]octane
Alternate Name(s) (4R,5R)-3,6-diethyl-N(4),N(5)-bis[(1S)-1-phenylethyl]-4,5-octanediamine (4R,5R)-3,6-Diethyl-N,N'-bis-((S)-1-phenyl-ethyl)-octane-4,5-diamine N-((1R,2R)-3-ethyl-1-(1-ethylpropyl)-2-{[(1S)-1-phenylethyl]amino}pentyl)-N-[(1S)-1-phenylethyl]amine
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Formula C28H44N2
InChI InChI=1S/C28H44N2/c1-7-23(8-2)27(29-21(5)25-17-13-11-14-18-25)28(24(9-3)10-4)30-22(6)26-19-15-12-16-20-26/h11-24,27-30H,7-10H2,1-6H3/t21-,22-,27+,28+/m0/s1
InChIKey ZIJWBIDADPPCTC-SHRQFBHGSA-N
Molecular Weight 408.674 g/mol
SMILES N([C@@]([C@](N[C@](c1ccccc1)(C)[H])(C(CC)CC)[H])(C(CC)CC)[H])[C@](c1ccccc1)(C)[H]
SPLASH splash10-0zfr-0970000000-ecb3c796094092bf0155
Source of Spectrum SO-0-585-13
Wiley ID 877547