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N,N'-(1,4-Phenylene)bis(2-imino-4-phenyl-6-(p-tolyl)-2H-pyran-3-carboxamide)
SpectraBase Compound ID 88kn0HhLnvi
InChI InChI=1S/C44H34N4O4/c1-27-13-17-31(18-14-27)37-25-35(29-9-5-3-6-10-29)39(41(45)51-37)43(49)47-33-21-23-34(24-22-33)48-44(50)40-36(30-11-7-4-8-12-30)26-38(52-42(40)46)32-19-15-28(2)16-20-32/h3-26,45-46H,1-2H3,(H,47,49)(H,48,50)
InChIKey QYFZWPSESWRZTL-UHFFFAOYSA-N
Mol Weight 682.8 g/mol
Molecular Formula C44H34N4O4
Exact Mass 682.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVICmu6d0wq
Name N,N'-(1,4-Phenylene)bis(2-imino-4-phenyl-6-(p-tolyl)-2H-pyran-3-carboxamide)
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H34N4O4
InChI InChI=1S/C44H34N4O4/c1-27-13-17-31(18-14-27)37-25-35(29-9-5-3-6-10-29)39(41(45)51-37)43(49)47-33-21-23-34(24-22-33)48-44(50)40-36(30-11-7-4-8-12-30)26-38(52-42(40)46)32-19-15-28(2)16-20-32/h3-26,45-46H,1-2H3,(H,47,49)(H,48,50)
InChIKey QYFZWPSESWRZTL-UHFFFAOYSA-N
Instrument Name Finnigan Incos 500
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3276
Molecular Weight 682.780 g/mol
SMILES N(c1ccc(cc1)NC(C=1C(OC(=CC1c1ccccc1)c1ccc(cc1)C)=N)=O)C(C=1C(OC(=CC1c1ccccc1)c1ccc(cc1)C)=N)=O
SPLASH splash10-0a59-5930000000-f56710df0fdac07f5aff
Source of Spectrum Y-55-2258-21
Wiley ID 1878826