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1,6-Bis{4-[5-(4-N,N'-dimethylaminophenyl)cyclohepta-1,3,6-trienyl]phenoxy}hexane
SpectraBase Compound ID 1MCb730bWX8
InChI InChI=1S/C48H52N2O2/c1-49(2)45-27-19-41(20-28-45)37-11-9-13-39(17-15-37)43-23-31-47(32-24-43)51-35-7-5-6-8-36-52-48-33-25-44(26-34-48)40-14-10-12-38(16-18-40)42-21-29-46(30-22-42)50(3)4/h9-34,37-38H,5-8,35-36H2,1-4H3
InChIKey PJLCYZZHXSEFIQ-UHFFFAOYSA-N
Mol Weight 689.0 g/mol
Molecular Formula C48H52N2O2
Exact Mass 688.402879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpfESZmWKBq
Name 1,6-Bis{4-[5-(4-N,N'-dimethylaminophenyl)cyclohepta-1,3,6-trienyl]phenoxy}hexane
Alternate Name(s) 4,4'-(((hexane-1,6-diylbis(oxy))bis(4,1-phenylene))bis(cyclohepta-2,4,6-triene-4,1-diyl))bis(N,N-dimethylaniline)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H52N2O2
InChI InChI=1S/C48H52N2O2/c1-49(2)45-27-19-41(20-28-45)37-11-9-13-39(17-15-37)43-23-31-47(32-24-43)51-35-7-5-6-8-36-52-48-33-25-44(26-34-48)40-14-10-12-38(16-18-40)42-21-29-46(30-22-42)50(3)4/h9-34,37-38H,5-8,35-36H2,1-4H3
InChIKey PJLCYZZHXSEFIQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19983400707
Molecular Weight 688.956 g/mol
SMILES C(CCCCOc1ccc(cc1)C1=CC=CC(C=C1)c1ccc(cc1)N(C)C)COc1ccc(cc1)C1=CC=CC(C=C1)c1ccc(cc1)N(C)C
SPLASH splash10-0pbc-9726040000-252369ca7a1cc16b5672
Source of Spectrum JF-340-640-26e
Wiley ID 1766622