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(2S,3S)-3-N,3-N-dibenzyl-1-N-cyclohexyl-2-methoxy-4-phenylbutane-1,3-diamine
SpectraBase Compound ID KYx2g4GhMVp
InChI InChI=1S/C31H40N2O/c1-34-31(23-32-29-20-12-5-13-21-29)30(22-26-14-6-2-7-15-26)33(24-27-16-8-3-9-17-27)25-28-18-10-4-11-19-28/h2-4,6-11,14-19,29-32H,5,12-13,20-25H2,1H3/t30-,31-/m0/s1
InChIKey PBEHSBMIHQAYCC-CONSDPRKSA-N
Mol Weight 456.7 g/mol
Molecular Formula C31H40N2O
Exact Mass 456.314064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44NzpTokfFa
Name (2S,3S)-3-N,3-N-dibenzyl-1-N-cyclohexyl-2-methoxy-4-phenylbutane-1,3-diamine
Alternate Name(s) (2S,3S)-N1-cyclohexyl-2-methoxy-4-phenyl-N3,N3-bis(phenylmethyl)butane-1,3-diamine (2S,3S)-N3,N3-dibenzyl-N1-cyclohexyl-2-methoxy-4-phenyl-butane-1,3-diamine dibenzyl-[(1S,2S)-1-benzyl-3-(cyclohexylamino)-2-methoxy-propyl]amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40N2O
InChI InChI=1S/C31H40N2O/c1-34-31(23-32-29-20-12-5-13-21-29)30(22-26-14-6-2-7-15-26)33(24-27-16-8-3-9-17-27)25-28-18-10-4-11-19-28/h2-4,6-11,14-19,29-32H,5,12-13,20-25H2,1H3/t30-,31-/m0/s1
InChIKey PBEHSBMIHQAYCC-CONSDPRKSA-N
Molecular Weight 456.674 g/mol
SMILES N(C[C@@]([C@](Cc1ccccc1)(N(Cc1ccccc1)Cc1ccccc1)[H])(OC)[H])C1CCCCC1
SPLASH splash10-0006-4009000000-30a8207f06b4fbb3913e
Source of Spectrum F-68-9245-2
Wiley ID 1573682