(E)-7,7'-Dimethoxy-4,4'-bis-nonyloxy-1H,1'H-[2,2']biindolylidene-3,3'-dione

SpectraBase Compound ID	7q2mZBdXqXT
InChI	InChI=1S/C36H50N2O6/c1-5-7-9-11-13-15-17-23-43-25-19-21-27(41-3)31-29(25)35(39)33(37-31)34-36(40)30-26(20-22-28(42-4)32(30)38-34)44-24-18-16-14-12-10-8-6-2/h19-22,37-38H,5-18,23-24H2,1-4H3/b34-33+
InChIKey	ZDIMFZNECXJNMF-JEIPZWNWSA-N Google Search
Mol Weight	606.8 g/mol
Molecular Formula	C36H50N2O6
Exact Mass	606.366887 g/mol

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SpectraBase Spectrum ID	3Jq9cVJ4R2F
Name	(E)-7,7'-Dimethoxy-4,4'-bis-nonyloxy-1H,1'H-[2,2']biindolylidene-3,3'-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	606.366887332 u
Formula	C36H50N2O6
InChI	InChI=1S/C36H50N2O6/c1-5-7-9-11-13-15-17-23-43-25-19-21-27(41-3)31-29(25)35(39)33(37-31)34-36(40)30-26(20-22-28(42-4)32(30)38-34)44-24-18-16-14-12-10-8-6-2/h19-22,37-38H,5-18,23-24H2,1-4H3/b34-33+
InChIKey	ZDIMFZNECXJNMF-JEIPZWNWSA-N
Molecular Weight	606.804 g/mol
SMILES	C1(\C(=C\2C(C=3C(=CC=C(C3N2)OC)OCCCCCCCCC)=O)NC=2C(=CC=C(C12)OCCCCCCCCC)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.855183