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1,4-Di(5-{[5-(N,N-dimethylamino)-1-naphthyl]ethynyl}-1-naphthyl)buta-1,4-diyne
SpectraBase Compound ID CONCyLWncEj
InChI InChI=1S/C52H36N2/c1-53(2)51-31-13-27-47-41(21-11-29-49(47)51)35-33-39-19-9-23-43-37(17-7-25-45(39)43)15-5-6-16-38-18-8-26-46-40(20-10-24-44(38)46)34-36-42-22-12-30-50-48(42)28-14-32-52(50)54(3)4/h7-14,17-32H,1-4H3
InChIKey JPOZGGWWFPSELO-UHFFFAOYSA-N
Mol Weight 688.9 g/mol
Molecular Formula C52H36N2
Exact Mass 688.287849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qlK9Xm8POz
Name 1,4-Di(5-{[5-(N,N-dimethylamino)-1-naphthyl]ethynyl}-1-naphthyl)buta-1,4-diyne
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Formula C52H36N2
InChI InChI=1S/C52H36N2/c1-53(2)51-31-13-27-47-41(21-11-29-49(47)51)35-33-39-19-9-23-43-37(17-7-25-45(39)43)15-5-6-16-38-18-8-26-46-40(20-10-24-44(38)46)34-36-42-22-12-30-50-48(42)28-14-32-52(50)54(3)4/h7-14,17-32H,1-4H3
InChIKey JPOZGGWWFPSELO-UHFFFAOYSA-N
Molecular Weight 688.874 g/mol
SMILES C(#Cc1c2c(c(N(C)C)ccc2)ccc1)c1c2c(c(C#CC#Cc3c4c(c(C#Cc5c6c(c(N(C)C)ccc6)ccc5)ccc4)ccc3)ccc2)ccc1
SPLASH splash10-000i-0000009000-dc7188770996fb70bdff
Source of Spectrum KC-61-3040-5
Wiley ID 1628291