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N,N'-bis[4-(1'-Pyrenyl)butyl]benzene-1,3-dimethanamine - dihydrochloride
SpectraBase Compound ID Aqg1QWxiREb
InChI InChI=1S/C48H44N2.2ClH/c1(10-35-16-18-41-22-20-37-12-6-14-39-24-26-43(35)47(41)45(37)39)3-28-49-31-33-8-5-9-34(30-33)32-50-29-4-2-11-36-17-19-42-23-21-38-13-7-15-40-25-27-44(36)48(42)46(38)40;;/h5-9,12-27,30,49-50H,1-4,10-11,28-29,31-32H2;2*1H
InChIKey PREKUOBHNAAJQP-UHFFFAOYSA-N
Mol Weight 721.82 g/mol
Molecular Formula C48H46Cl2N2
Exact Mass 720.303805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqaIcDKWUCL
Name N,N'-bis[4-(1'-Pyrenyl)butyl]benzene-1,3-dimethanamine - dihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H46Cl2N2
InChI InChI=1S/C48H44N2.2ClH/c1(10-35-16-18-41-22-20-37-12-6-14-39-24-26-43(35)47(41)45(37)39)3-28-49-31-33-8-5-9-34(30-33)32-50-29-4-2-11-36-17-19-42-23-21-38-13-7-15-40-25-27-44(36)48(42)46(38)40;;/h5-9,12-27,30,49-50H,1-4,10-11,28-29,31-32H2;2*1H
InChIKey PREKUOBHNAAJQP-UHFFFAOYSA-N
Molecular Weight 721.816 g/mol
SMILES Cl.N(CCCCc1c2c3c4c(cc2)cccc4ccc3cc1)Cc1cc(CNCCCCc2c3c4c5c(cccc5ccc4cc2)cc3)ccc1.Cl
SPLASH splash10-01b9-0090000000-81b10d778ad26f016dfb
Source of Spectrum D8-327-400-2
Synonyms [4-(pyren-1-yl)butyl]({[3-({[4-(pyren-1-yl)butyl]amino}methyl)phenyl]methyl})amine dihydrochloride
Wiley ID 1515286