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N-[(1-Pyrenyl)methyl]-N'-{[2'-(1"-pyrenyl)methylamino]ethyl}-propane-1,3-diamine - trihydrochloride
SpectraBase Compound ID B5ImH3SU4Zd
InChI InChI=1S/C39H35N3.3ClH/c40-20-3-22-42(25-33-15-13-31-11-9-27-5-2-7-29-17-19-35(33)39(31)37(27)29)23-21-41-24-32-14-12-30-10-8-26-4-1-6-28-16-18-34(32)38(30)36(26)28;;;/h1-2,4-19,41H,3,20-25,40H2;3*1H
InChIKey MCWFCPXQUBBKJR-UHFFFAOYSA-N
Mol Weight 655.11 g/mol
Molecular Formula C39H38Cl3N3
Exact Mass 653.213131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KMRjBIUSYn
Name N-[(1-Pyrenyl)methyl]-N'-{[2'-(1"-pyrenyl)methylamino]ethyl}-propane-1,3-diamine - trihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H38Cl3N3
InChI InChI=1S/C39H35N3.3ClH/c40-20-3-22-42(25-33-15-13-31-11-9-27-5-2-7-29-17-19-35(33)39(31)37(27)29)23-21-41-24-32-14-12-30-10-8-26-4-1-6-28-16-18-34(32)38(30)36(26)28;;;/h1-2,4-19,41H,3,20-25,40H2;3*1H
InChIKey MCWFCPXQUBBKJR-UHFFFAOYSA-N
Molecular Weight 655.113 g/mol
SMILES Cl.NCCCN(CCNCc1c2c3c4c(cccc4ccc3cc1)cc2)Cc1c2c3c4c(cccc4ccc3cc1)cc2.Cl.Cl
SPLASH splash10-0fss-2097020000-f3f9dab1595a9cabe898
Source of Spectrum D8-328-134-5
Synonyms {2-[(3-aminopropyl)(pyren-1-ylmethyl)amino]ethyl}(pyren-1-ylmethyl)amine trihydrochloride
Wiley ID 1515674