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p-Xylene, a,a'-bis[4-[1-(4-ethylaminophenyl)-cyclo-2,4,6-trien-4-yl]phenyl]-
SpectraBase Compound ID HerSJzOKpUy
InChI InChI=1S/C50H48N2O2/c1-3-51-47-27-19-43(20-28-47)39-7-5-9-41(17-15-39)45-23-31-49(32-24-45)53-35-37-11-13-38(14-12-37)36-54-50-33-25-46(26-34-50)42-10-6-8-40(16-18-42)44-21-29-48(30-22-44)52-4-2/h5-34,39-40,51-52H,3-4,35-36H2,1-2H3
InChIKey ZRELDDOVPSSOAG-UHFFFAOYSA-N
Mol Weight 708.9 g/mol
Molecular Formula C50H48N2O2
Exact Mass 708.371579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIKzczIhkoc
Name p-Xylene, a,a'-bis[4-[1-(4-ethylaminophenyl)-cyclo-2,4,6-trien-4-yl]phenyl]-
Alternate Name(s) 1,4-Bis{[4-[5-(4-ethylaminophenyl)-cyclohepta-1,3,6-trienyl]phenoxy]methyl}benzene N-Ethyl-4-(4-[4-((4-[(4-(5-[4-(ethylamino)phenyl]-1,3,6-cycloheptatrien-1-yl)phenoxy)methyl]benzyl)oxy)phenyl]-2,4,6-cycloheptatrien-1-yl)aniline 4,4'-((((1,4-phenylenebis(methylene))bis(oxy))bis(4,1-phenylene))bis(cyclohepta-2,4,6-triene-4,1-diyl))bis(N-ethylaniline) N-ethyl-4-[4-[4-[[4-[[4-[5-[4-(ethylamino)phenyl]-1-cyclohepta-1,3,6-trienyl]phenoxy]methyl]phenyl]methoxy]phenyl]-1-cyclohepta-2,4,6-trienyl]aniline N-ethyl-4-[4-[4-[[4-[[4-[5-[4-(ethylamino)phenyl]cyclohepta-1,3,6-trien-1-yl]phenoxy]methyl]phenyl]methoxy]phenyl]cyclohepta-2,4,6-trien-1-yl]aniline
CAS Registry Number 216307-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H48N2O2
InChI InChI=1S/C50H48N2O2/c1-3-51-47-27-19-43(20-28-47)39-7-5-9-41(17-15-39)45-23-31-49(32-24-45)53-35-37-11-13-38(14-12-37)36-54-50-33-25-46(26-34-50)42-10-6-8-40(16-18-42)44-21-29-48(30-22-44)52-4-2/h5-34,39-40,51-52H,3-4,35-36H2,1-2H3
InChIKey ZRELDDOVPSSOAG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19983400707
Molecular Weight 708.946 g/mol
SMILES N(CC)c1ccc(C2C=CC=C(c3ccc(OCc4ccc(COc5ccc(C6=CC=CC(c7ccc(cc7)NCC)C=C6)cc5)cc4)cc3)C=C2)cc1
SPLASH splash10-0zgu-4944000000-5641f3d09399a8231b22
Source of Spectrum JF-340-640-26d
Wiley ID 1766621