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 Google Search
Mol Weight	848.4 g/mol
Molecular Formula	C58H89NO3
Exact Mass	847.684246 g/mol

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SpectraBase Spectrum ID	37o0Co9fy6w
Name	N-{[ E-5,6,7-Tris( dodecyloxy)-10-methyl-2-phenanthrenyl ]methylene} aniline
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	847.684245727 u
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(=C2C=3C(=CC(\C=N\C4=CC=CC=C4)=CC3)C(=CC2=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C)OCCCCCCCCCCCC