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 |