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3,3':5,3''-bis(trimethylene)-2,6-di(2'-quinolyl)pyridine
SpectraBase Compound ID 1L8HPHo3toe
InChI InChI=1S/C29H23N3/c1-3-13-24-18(7-1)15-20-9-5-11-23-17-22-12-6-10-21-16-19-8-2-4-14-25(19)31-27(21)29(23)32-28(22)26(20)30-24/h1-4,7-8,13-17H,5-6,9-12H2
InChIKey FSKGJJBYSSMSDW-UHFFFAOYSA-N
Mol Weight 413.52 g/mol
Molecular Formula C29H23N3
Exact Mass 413.189198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDYnMW5CQJz
Name 3,3':5,3''-bis(trimethylene)-2,6-di(2'-quinolyl)pyridine
Alternate Name(s) 3,29,32-triazaheptacyclo[15.15.0.0(2,11).0(4,9).0(15,31).0(21,30).0(23,28)]dotriaconta-1(17),2,4,6,8,10,15,21,23,25,27,29,31-tridecaene 3,3':5,3''-bis(trimethylene)-2,6-di(2'-quinolyl)pyridine
CAS Registry Number 96413-36-4
Comments Less than 3 mono-isotopic peaks
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Formula C29H23N3
InChI InChI=1S/C29H23N3/c1-3-13-24-18(7-1)15-20-9-5-11-23-17-22-12-6-10-21-16-19-8-2-4-14-25(19)31-27(21)29(23)32-28(22)26(20)30-24/h1-4,7-8,13-17H,5-6,9-12H2
InChIKey FSKGJJBYSSMSDW-UHFFFAOYSA-N
Molecular Weight 413.524 g/mol
SMILES c1-2nc-3c(CCCc4cc5ccccc5nc24)cc1CCCc1cc2ccccc2nc31
SPLASH splash10-03di-0000900000-6980f546985252bebe26
Source of Spectrum J-50-2412-13
Wiley ID 1375105