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[1,3-Butadiyne-1,4-diylbis(2,1-phenylene-2,1-ethynediyl)]bis[5-(2-chloropyridine)]
SpectraBase Compound ID JSx7GzAVURg
InChI InChI=1S/C30H14Cl2N2/c31-29-19-15-23(21-33-29)13-17-27-11-5-3-9-25(27)7-1-2-8-26-10-4-6-12-28(26)18-14-24-16-20-30(32)34-22-24/h3-6,9-12,15-16,19-22H
InChIKey FLGFYVXHCBFXNV-UHFFFAOYSA-N
Mol Weight 473.36 g/mol
Molecular Formula C30H14Cl2N2
Exact Mass 472.053404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEfRqfXdaQo
Name [1,3-Butadiyne-1,4-diylbis(2,1-phenylene-2,1-ethynediyl)]bis[5-(2-chloropyridine)]
Comments Less than 3 mono-isotopic peaks
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Formula C30H14Cl2N2
InChI InChI=1S/C30H14Cl2N2/c31-29-19-15-23(21-33-29)13-17-27-11-5-3-9-25(27)7-1-2-8-26-10-4-6-12-28(26)18-14-24-16-20-30(32)34-22-24/h3-6,9-12,15-16,19-22H
InChIKey FLGFYVXHCBFXNV-UHFFFAOYSA-N
Molecular Weight 473.362 g/mol
SMILES C(#Cc1cnc(cc1)Cl)c1c(C#CC#Cc2c(C#Cc3cnc(cc3)Cl)cccc2)cccc1
SPLASH splash10-00di-0000900000-0b2a701850b49f11e24c
Source of Spectrum J-66-4178-11
Synonyms 2-chloro-5-[2-[2-[4-[2-[2-(6-chloro-3-pyridinyl)ethynyl]phenyl]buta-1,3-diynyl]phenyl]ethynyl]pyridine 2-chloro-5-[2-[2-[4-[2-[2-(6-chloropyridin-3-yl)ethynyl]phenyl]buta-1,3-diynyl]phenyl]ethynyl]pyridine 2-chloranyl-5-[2-[2-[4-[2-[2-(6-chloranylpyridin-3-yl)ethynyl]phenyl]buta-1,3-diynyl]phenyl]ethynyl]pyridine
Wiley ID 1535380