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N-{ [ E-2,3,6-tris( Hexyloxy)-1-methyl-9-phenanthrenyl]methylene} aniline
SpectraBase Compound ID A6yjFqWUQTP
InChI InChI=1S/C40H53NO3/c1-5-8-11-17-24-42-34-22-23-35-32(30-41-33-20-15-14-16-21-33)27-36-31(4)40(44-26-19-13-10-7-3)39(29-38(36)37(35)28-34)43-25-18-12-9-6-2/h14-16,20-23,27-30H,5-13,17-19,24-26H2,1-4H3/b41-30+
InChIKey CAYMCKDHBZLFKR-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 mc9nENUw8e
Name N-{ [ E-2,3,6-tris( Hexyloxy)-1-methyl-9-phenanthrenyl]methylene} aniline
Alternate Name(s) N-phenyl-N-{(E)-[2,3,6-tris(hexyloxy)-1-methyl-9-phenanthryl]methylidene}amine N-{(E)-[2,3,6-tris(hexyloxy)-1-methyl-9-phenanthryl]methylidene}aniline
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Formula C40H53NO3
InChI InChI=1S/C40H53NO3/c1-5-8-11-17-24-42-34-22-23-35-32(30-41-33-20-15-14-16-21-33)27-36-31(4)40(44-26-19-13-10-7-3)39(29-38(36)37(35)28-34)43-25-18-12-9-6-2/h14-16,20-23,27-30H,5-13,17-19,24-26H2,1-4H3/b41-30+
InChIKey CAYMCKDHBZLFKR-AETRBLLXSA-N
Molecular Weight 595.868 g/mol
SMILES c12c(c(C)c(c(c2)OCCCCCC)OCCCCCC)cc(c2c1cc(cc2)OCCCCCC)\C=N\c1ccccc1
SPLASH splash10-0002-3000090000-44eaeab8dc3132aa3dbd
Source of Spectrum K-127-1740-5
Wiley ID 1409774