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1,8-Bis{4-[5-(4-ethylaminophenyl)-cyclohepta-1,3,6-trienyl]phenoxy}-3,6-dioxaoctane
SpectraBase Compound ID Kaj86skLYwB
InChI InChI=1S/C48H52N2O4/c1-3-49-45-23-15-41(16-24-45)37-7-5-9-39(13-11-37)43-19-27-47(28-20-43)53-35-33-51-31-32-52-34-36-54-48-29-21-44(22-30-48)40-10-6-8-38(12-14-40)42-17-25-46(26-18-42)50-4-2/h5-30,37-38,49-50H,3-4,31-36H2,1-2H3
InChIKey OCGSAVNJMMKVRK-UHFFFAOYSA-N
Mol Weight 721.0 g/mol
Molecular Formula C48H52N2O4
Exact Mass 720.392708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M3Y6hmEpBl
Name 1,8-Bis{4-[5-(4-ethylaminophenyl)-cyclohepta-1,3,6-trienyl]phenoxy}-3,6-dioxaoctane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H52N2O4
InChI InChI=1S/C48H52N2O4/c1-3-49-45-23-15-41(16-24-45)37-7-5-9-39(13-11-37)43-19-27-47(28-20-43)53-35-33-51-31-32-52-34-36-54-48-29-21-44(22-30-48)40-10-6-8-38(12-14-40)42-17-25-46(26-18-42)50-4-2/h5-30,37-38,49-50H,3-4,31-36H2,1-2H3
InChIKey OCGSAVNJMMKVRK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19983400707
Molecular Weight 720.954 g/mol
SMILES N(CC)c1ccc(C2C=CC=C(c3ccc(OCCOCCOCCOc4ccc(C5=CC=CC(c6ccc(cc6)NCC)C=C5)cc4)cc3)C=C2)cc1
SPLASH splash10-000j-9721161100-9fffc93934efff73d684
Source of Spectrum JF-340-640-26c
Synonyms 4,4'-(((((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(4,1-phenylene))bis(cyclohepta-2,4,6-triene-4,1-diyl))bis(N-ethylaniline)
Wiley ID 1766620