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5-Amino-3-anilino-8-hydroxy-1,4-naphthoquinone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Amino-3-anilino-8-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID 6qnL5nXkeRp
InChI InChI=1S/C16H12N2O3/c17-10-6-7-12(19)15-13(20)8-11(16(21)14(10)15)18-9-4-2-1-3-5-9/h1-8,18-19H,17H2
InChIKey XLAGNWWPBKZKBV-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C16H12N2O3
Exact Mass 280.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4km7agM7LNn
Name 5-Amino-3-anilino-8-hydroxy-1,4-naphthoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.084792251 u
Formula C16H12N2O3
InChI InChI=1S/C16H12N2O3/c17-10-6-7-12(19)15-13(20)8-11(16(21)14(10)15)18-9-4-2-1-3-5-9/h1-8,18-19H,17H2
InChIKey XLAGNWWPBKZKBV-UHFFFAOYSA-N
SMILES C12=C(C(=O)C=C(C2=O)NC2=CC=CC=C2)C(O)=CC=C1N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966309