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N-{[ E-5,6,7-tris( Hexyloxy)-10-methyl-2-phenanthrenyl ]methylene} aniline
SpectraBase Compound ID A5R428XyxRB
InChI InChI=1S/C40H53NO3/c1-5-8-11-17-24-42-37-29-33-27-31(4)36-28-32(30-41-34-20-15-14-16-21-34)22-23-35(36)38(33)40(44-26-19-13-10-7-3)39(37)43-25-18-12-9-6-2/h14-16,20-23,27-30H,5-13,17-19,24-26H2,1-4H3/b41-30+
InChIKey UHSPHTHQBUIECA-AETRBLLXSA-N
Mol Weight 595.9 g/mol
Molecular Formula C40H53NO3
Exact Mass 595.402545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEQ3C0sSz0D
Name N-{[(E)-5,6,7-Tris(hexyloxy)-10-methyl-2-phenanthrenyl]-methylene}aniline
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Formula C40H53NO3
InChI InChI=1S/C40H53NO3/c1-5-8-11-17-24-42-37-29-33-27-31(4)36-28-32(30-41-34-20-15-14-16-21-34)22-23-35(36)38(33)40(44-26-19-13-10-7-3)39(37)43-25-18-12-9-6-2/h14-16,20-23,27-30H,5-13,17-19,24-26H2,1-4H3/b41-30+
InChIKey UHSPHTHQBUIECA-AETRBLLXSA-N
Literature Reference DOI 10.1002/cber.19941270925
Molecular Weight 595.868 g/mol
SMILES c1(\N=C\c2cc3c(cc4cc(c(c(c4c3cc2)OCCCCCC)OCCCCCC)OCCCCCC)C)ccccc1
SPLASH splash10-0002-1000190000-c09673cade49161faa83
Source of Spectrum K-127-1743-15d
Synonyms (E)-N-phenyl-1-(5,6,7-tris(hexyloxy)-10-methylphenanthren-2-yl)methanimine
Wiley ID 1792420