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1,4-Bis(4'-N,N-dibutylamino-2'-ethynylphenylethynyl)benzene
SpectraBase Compound ID 6d43W5WKTW
InChI InChI=1S/C42H48N2/c1-7-13-29-43(30-14-8-2)41-27-25-39(37(11-5)33-41)23-21-35-17-19-36(20-18-35)22-24-40-26-28-42(34-38(40)12-6)44(31-15-9-3)32-16-10-4/h5-6,17-20,25-28,33-34H,7-10,13-16,29-32H2,1-4H3
InChIKey JOTIMDCIUBMLPC-UHFFFAOYSA-N
Mol Weight 580.9 g/mol
Molecular Formula C42H48N2
Exact Mass 580.38175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB9FQYmV8f1
Name 1,4-Bis(4'-N,N-dibutylamino-2'-ethynylphenylethynyl)benzene
Alternate Name(s) N,N-dibutyl-4-[(4-{[4-(dibutylamino)-2-ethynylphenyl]ethynyl}phenyl)ethynyl]-3-ethynylaniline N,N-dibutyl-N-{4-[(4-{[4-(dibutylamino)-2-ethynylphenyl]ethynyl}phenyl)ethynyl]-3-ethynylphenyl}amine
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Formula C42H48N2
InChI InChI=1S/C42H48N2/c1-7-13-29-43(30-14-8-2)41-27-25-39(37(11-5)33-41)23-21-35-17-19-36(20-18-35)22-24-40-26-28-42(34-38(40)12-6)44(31-15-9-3)32-16-10-4/h5-6,17-20,25-28,33-34H,7-10,13-16,29-32H2,1-4H3
InChIKey JOTIMDCIUBMLPC-UHFFFAOYSA-N
Molecular Weight 580.860 g/mol
SMILES C(#Cc1ccc(C#Cc2c(C#C)cc(cc2)N(CCCC)CCCC)cc1)c1c(C#C)cc(cc1)N(CCCC)CCCC
SPLASH splash10-001i-1020090000-cf07c0cc341c9ca29032
Source of Spectrum QE-12-7114-22
Wiley ID 1587323