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(1R,2S)-N-[[9-[(DIDODECYLAMINO)-METHYL]-1,10-PHENANTHROLIN-2-YL]-METHYL]-EPHEDRIN

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(1R,2S)-N-[[9-[(DIDODECYLAMINO)-METHYL]-1,10-PHENANTHROLIN-2-YL]-METHYL]-EPHEDRIN
SpectraBase Compound ID GhRGD1jRF60
InChI InChI=1S/C48H74N4O/c1-5-7-9-11-13-15-17-19-21-26-36-52(37-27-22-20-18-16-14-12-10-8-6-2)39-45-35-33-42-31-30-41-32-34-44(49-46(41)47(42)50-45)38-51(4)40(3)48(53)43-28-24-23-25-29-43/h23-25,28-35,40,48,53H,5-22,26-27,36-39H2,1-4H3/t40-,48-/m0/s1
InChIKey UPKPTLMZMCWGRR-HJCIVUGSSA-N
Mol Weight 723.1 g/mol
Molecular Formula C48H74N4O
Exact Mass 722.586263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31diErNGut2
Name (1R,2S)-N-[[9-[(DIDODECYLAMINO)-METHYL]-1,10-PHENANTHROLIN-2-YL]-METHYL]-EPHEDRIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H74N4O
InChI InChI=1S/C48H74N4O/c1-5-7-9-11-13-15-17-19-21-26-36-52(37-27-22-20-18-16-14-12-10-8-6-2)39-45-35-33-42-31-30-41-32-34-44(49-46(41)47(42)50-45)38-51(4)40(3)48(53)43-28-24-23-25-29-43/h23-25,28-35,40,48,53H,5-22,26-27,36-39H2,1-4H3/t40-,48-/m0/s1
InChIKey UPKPTLMZMCWGRR-HJCIVUGSSA-N
Literature Reference Author J.G.J.WEIJNEN,A.KOUDIJS,P.G.J.A.TAP,J.F.J.ENGBERSEN
Literature Reference Citation REC.TR.CH.P.-B.,112,525(1993)
Literature Reference DOI 10.1002/recl.19931121003
Molecular Weight 723.142 g/mol
Solvent CDCl3
Source File Reference UWTS2554