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1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(2,6-dichlorophenyl)-
SpectraBase Compound ID 2gS9sTvlpNX
InChI InChI=1S/C22H8Cl4N2O4/c23-13-3-1-4-14(24)17(13)27-19(29)9-7-11-12(8-10(9)20(27)30)22(32)28(21(11)31)18-15(25)5-2-6-16(18)26/h1-8H
InChIKey XTBZPNJNYNVMAK-UHFFFAOYSA-N
Mol Weight 506.1 g/mol
Molecular Formula C22H8Cl4N2O4
Exact Mass 503.923818 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6vGmn0X3dER
Name 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(2,6-dichlorophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.923817542 u
Formula C22H8Cl4N2O4
InChI InChI=1S/C22H8Cl4N2O4/c23-13-3-1-4-14(24)17(13)27-19(29)9-7-11-12(8-10(9)20(27)30)22(32)28(21(11)31)18-15(25)5-2-6-16(18)26/h1-8H
InChIKey XTBZPNJNYNVMAK-UHFFFAOYSA-N
Molecular Weight 506.128 g/mol
SMILES C1(=O)N(C(=O)C2=C1C=C1C(=O)N(C(C1=C2)=O)C1=C(Cl)C=CC=C1Cl)C1=C(Cl)C=CC=C1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821365