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Phenol, 4-[bis(3-nitrophenyl)amino]-
SpectraBase Compound ID E7ngsE82lVm
InChI InChI=1S/C18H13N3O5/c22-18-9-7-13(8-10-18)19(14-3-1-5-16(11-14)20(23)24)15-4-2-6-17(12-15)21(25)26/h1-12,22H
InChIKey IYXHHKNPUCZDCR-UHFFFAOYSA-N
Mol Weight 351.32 g/mol
Molecular Formula C18H13N3O5
Exact Mass 351.085521 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8p12sZYqTqP
Name Phenol, 4-[bis(3-nitrophenyl)amino]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.085520526 u
Formula C18H13N3O5
InChI InChI=1S/C18H13N3O5/c22-18-9-7-13(8-10-18)19(14-3-1-5-16(11-14)20(23)24)15-4-2-6-17(12-15)21(25)26/h1-12,22H
InChIKey IYXHHKNPUCZDCR-UHFFFAOYSA-N
Molecular Weight 351.318 g/mol
SMILES C1(N(=O)=O)=CC(N(C=2C=C(N(=O)=O)C=CC2)C=2C=CC(=CC2)O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885507