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N-[(1-Pyrenyl)methyl]-N'-{[3'-(1"-pyrenyl)methylamino]propyl}-propane-1,3-diamine - trihydrochloride
SpectraBase Compound ID DRjTR5T2zgr
InChI InChI=1S/C40H37N3.3ClH/c41-21-3-23-43(26-34-16-14-32-12-10-28-6-2-8-30-18-20-36(34)40(32)38(28)30)24-4-22-42-25-33-15-13-31-11-9-27-5-1-7-29-17-19-35(33)39(31)37(27)29;;;/h1-2,5-20,42H,3-4,21-26,41H2;3*1H
InChIKey OEHNBFUYERUNHY-UHFFFAOYSA-N
Mol Weight 669.14 g/mol
Molecular Formula C40H40Cl3N3
Exact Mass 667.228781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNbgAZ2aqNF
Name N-[(1-Pyrenyl)methyl]-N'-{[3'-(1"-pyrenyl)methylamino]propyl}-propane-1,3-diamine - trihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H40Cl3N3
InChI InChI=1S/C40H37N3.3ClH/c41-21-3-23-43(26-34-16-14-32-12-10-28-6-2-8-30-18-20-36(34)40(32)38(28)30)24-4-22-42-25-33-15-13-31-11-9-27-5-1-7-29-17-19-35(33)39(31)37(27)29;;;/h1-2,5-20,42H,3-4,21-26,41H2;3*1H
InChIKey OEHNBFUYERUNHY-UHFFFAOYSA-N
Molecular Weight 669.140 g/mol
SMILES Cl.NCCCN(CCCNCc1c2c3c4c(cccc4ccc3cc1)cc2)Cc1c2c3c4c(cccc4ccc3cc1)cc2.Cl.Cl
SPLASH splash10-014i-3090000000-d964a2d1ac3c6a69f014
Source of Spectrum D8-328-134-5
Synonyms {3-[(3-aminopropyl)(pyren-1-ylmethyl)amino]propyl}(pyren-1-ylmethyl)amine trihydrochloride
Wiley ID 1515673