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N-[(1-Pyrenyl)methyl]-N'-{[3'-(1"-pyrenyl)methylamino]propyl}-butane-1,4-diamine - trihydrochloride
SpectraBase Compound ID An4nb2gJgm0
InChI InChI=1S/C41H39N3.3ClH/c42-22-1-2-24-44(27-35-17-15-33-13-11-29-7-4-9-31-19-21-37(35)41(33)39(29)31)25-5-23-43-26-34-16-14-32-12-10-28-6-3-8-30-18-20-36(34)40(32)38(28)30;;;/h3-4,6-21,43H,1-2,5,22-27,42H2;3*1H
InChIKey MIOPODRKQFOKPL-UHFFFAOYSA-N
Mol Weight 683.17 g/mol
Molecular Formula C41H42Cl3N3
Exact Mass 681.244431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Au3X57wfuS
Name N-[(1-Pyrenyl)methyl]-N'-{[3'-(1"-pyrenyl)methylamino]propyl}-butane-1,4-diamine - trihydrochloride
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Formula C41H42Cl3N3
InChI InChI=1S/C41H39N3.3ClH/c42-22-1-2-24-44(27-35-17-15-33-13-11-29-7-4-9-31-19-21-37(35)41(33)39(29)31)25-5-23-43-26-34-16-14-32-12-10-28-6-3-8-30-18-20-36(34)40(32)38(28)30;;;/h3-4,6-21,43H,1-2,5,22-27,42H2;3*1H
InChIKey MIOPODRKQFOKPL-UHFFFAOYSA-N
Molecular Weight 683.167 g/mol
SMILES Cl.N(CCCN(CCCCN)Cc1c2c3c4c(cccc4ccc3cc1)cc2)Cc1c2c3c4c(cccc4ccc3cc1)cc2.Cl.Cl
SPLASH splash10-014i-0090000000-e19b7b2768686341db78
Source of Spectrum D8-328-134-5
Synonyms {3-[(4-aminobutyl)(pyren-1-ylmethyl)amino]propyl}(pyren-1-ylmethyl)amine trihydrochloride
Wiley ID 1515672