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N-{[(E)-5,6,7-Tris(dodecyloxy)-10-methyl-2-phenanthrenyl]-methylene}aniline
SpectraBase Compound ID DfGu7M9F4cx
InChI InChI=1S/C58H89NO3/c1-5-8-11-14-17-20-23-26-29-35-42-60-55-47-51-45-49(4)54-46-50(48-59-52-38-33-32-34-39-52)40-41-53(54)56(51)58(62-44-37-31-28-25-22-19-16-13-10-7-3)57(55)61-43-36-30-27-24-21-18-15-12-9-6-2/h32-34,38-41,45-48H,5-31,35-37,42-44H2,1-4H3/b59-48+
InChIKey RGNOFZPIIOZHJK-WLNPFGBFSA-N
Mol Weight 848.4 g/mol
Molecular Formula C58H89NO3
Exact Mass 847.684246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2YFsn3mCyj
Name N-{[ E-5,6,7-tris( Dodecyloxy)-10-methyl-2-phenanthrenyl ]methylene} aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H89NO3
InChI InChI=1S/C58H89NO3/c1-5-8-11-14-17-20-23-26-29-35-42-60-55-47-51-45-49(4)54-46-50(48-59-52-38-33-32-34-39-52)40-41-53(54)56(51)58(62-44-37-31-28-25-22-19-16-13-10-7-3)57(55)61-43-36-30-27-24-21-18-15-12-9-6-2/h32-34,38-41,45-48H,5-31,35-37,42-44H2,1-4H3/b59-48+
InChIKey RGNOFZPIIOZHJK-WLNPFGBFSA-N
Molecular Weight 848.354 g/mol
SMILES c1(c2c3c(cc(\C=N\c4ccccc4)cc3)c(cc2cc(c1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C)OCCCCCCCCCCCC
SPLASH splash10-052e-9000000040-d6e4ac3accc5dc0470a1
Source of Spectrum K-127-1744-15
Synonyms (NE)-N-{[5,6,7-tris(dodecyloxy)-10-methylphenanthren-2-yl]methylidene}aniline
Wiley ID 1417676