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4-[(3-Methoxyphenyl)amino]naphthalene-1,2-dione

View entire compound with spectra: 1 FTIR

4-[(3-Methoxyphenyl)amino]naphthalene-1,2-dione
SpectraBase Compound ID CJ5UH2RG0p2
InChI InChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)18-15-10-16(19)17(20)14-8-3-2-7-13(14)15/h2-10,18H,1H3
InChIKey MBPNUUNXLNZOPC-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Km1fn8kL3uA
Name 4-[(3-Methoxyphenyl)amino]naphthalene-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.089543280 u
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)18-15-10-16(19)17(20)14-8-3-2-7-13(14)15/h2-10,18H,1H3
InChIKey MBPNUUNXLNZOPC-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES C12=CC=CC=C2C(=CC(C1=O)=O)NC1=CC=CC(OC)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868259