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N-[(1-Pyrenyl)methyl]-N'-{[2'-(1"-pyrenyl)methylamino]ethyl}-ethane-1,2-diamine - trihydrochloride
SpectraBase Compound ID D9TXdvxVCZx
InChI InChI=1S/C38H33N3.3ClH/c39-19-21-41(24-32-14-12-30-10-8-26-4-2-6-28-16-18-34(32)38(30)36(26)28)22-20-40-23-31-13-11-29-9-7-25-3-1-5-27-15-17-33(31)37(29)35(25)27;;;/h1-18,40H,19-24,39H2;3*1H
InChIKey DBFDBDNFKQGYCA-UHFFFAOYSA-N
Mol Weight 641.09 g/mol
Molecular Formula C38H36Cl3N3
Exact Mass 639.197481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kNapCUWykX
Name N-[(1-Pyrenyl)methyl]-N'-{[2'-(1"-pyrenyl)methylamino]ethyl}-ethane-1,2-diamine - trihydrochloride
Comments Less than 3 mono-isotopic peaks
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Formula C38H36Cl3N3
InChI InChI=1S/C38H33N3.3ClH/c39-19-21-41(24-32-14-12-30-10-8-26-4-2-6-28-16-18-34(32)38(30)36(26)28)22-20-40-23-31-13-11-29-9-7-25-3-1-5-27-15-17-33(31)37(29)35(25)27;;;/h1-18,40H,19-24,39H2;3*1H
InChIKey DBFDBDNFKQGYCA-UHFFFAOYSA-N
Molecular Weight 641.086 g/mol
SMILES Cl.N(CCN(CCN)Cc1c2c3c4c(cccc4ccc3cc1)cc2)Cc1c2c3c4c(cccc4ccc3cc1)cc2.Cl.Cl
SPLASH splash10-014i-0090000000-385b9c22dba0ccd26af7
Source of Spectrum D8-328-134-5
Synonyms {2-[(2-aminoethyl)(pyren-1-ylmethyl)amino]ethyl}(pyren-1-ylmethyl)amine trihydrochloride
Wiley ID 1515679