2,3,6,7-tetrakis[(4'-Ethoxycarbonyl)anilino]-1,4,5,8-tetraazafulvalene

SpectraBase Compound ID	DLZKU2wsKO7
InChI	InChI=1S/C42H40N8O8/c1-5-55-39(51)25-9-17-29(18-10-25)43-33-34(44-30-19-11-26(12-20-30)40(52)56-6-2)48-37(47-33)38-49-35(45-31-21-13-27(14-22-31)41(53)57-7-3)36(50-38)46-32-23-15-28(16-24-32)42(54)58-8-4/h9-24H,5-8H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)
InChIKey	ZSWIFAWNRAWDEN-UHFFFAOYSA-N Google Search
Mol Weight	784.8 g/mol
Molecular Formula	C42H40N8O8
Exact Mass	784.29691 g/mol

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SpectraBase Spectrum ID	2EIdb7uzpYv
Name	2,3,6,7-tetrakis[(4'-Ethoxycarbonyl)anilino]-1,4,5,8-tetraazafulvalene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H40N8O8
InChI	InChI=1S/C42H40N8O8/c1-5-55-39(51)25-9-17-29(18-10-25)43-33-34(44-30-19-11-26(12-20-30)40(52)56-6-2)48-37(47-33)38-49-35(45-31-21-13-27(14-22-31)41(53)57-7-3)36(50-38)46-32-23-15-28(16-24-32)42(54)58-8-4/h9-24H,5-8H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)
InChIKey	ZSWIFAWNRAWDEN-UHFFFAOYSA-N
Molecular Weight	784.830 g/mol
SMILES	N(C1=NC(=C2N=C(C(=N2)Nc2ccc(C(=O)OCC)cc2)Nc2ccc(C(=O)OCC)cc2)N=C1Nc1ccc(C(=O)OCC)cc1)c1ccc(C(=O)OCC)cc1
SPLASH	splash10-000i-0702001900-5244258bfe275932e525
Source of Spectrum	U-1997-620-4
Wiley ID	769607