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bis[4-[m-Hydroxyanilino]-3-nitrophenyl]sulfone
SpectraBase Compound ID BEaeXWIKaS6
InChI InChI=1S/C24H18N4O8S/c29-17-5-1-3-15(11-17)25-21-9-7-19(13-23(21)27(31)32)37(35,36)20-8-10-22(24(14-20)28(33)34)26-16-4-2-6-18(30)12-16/h1-14,25-26,29-30H
InChIKey JMTGLHVPHXSUEK-UHFFFAOYSA-N
Mol Weight 522.49 g/mol
Molecular Formula C24H18N4O8S
Exact Mass 522.084535 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 947054Uvhu1
Name bis[4-[m-Hydroxyanilino]-3-nitrophenyl]sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.084534722 u
Formula C24H18N4O8S
InChI InChI=1S/C24H18N4O8S/c29-17-5-1-3-15(11-17)25-21-9-7-19(13-23(21)27(31)32)37(35,36)20-8-10-22(24(14-20)28(33)34)26-16-4-2-6-18(30)12-16/h1-14,25-26,29-30H
InChIKey JMTGLHVPHXSUEK-UHFFFAOYSA-N
Molecular Weight 522.488 g/mol
SMILES C1=C(C=C(C=C1)NC1=C(C=C(C=C1)S(=O)(=O)C1=CC=C(C(=C1)N(=O)=O)NC1=CC=CC(=C1)O)N(=O)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878085