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2-(4-Acetylphenylamino)-1,4-naphthoquinone

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(4-Acetylphenylamino)-1,4-naphthoquinone
SpectraBase Compound ID 8prfEhn5Iia
InChI InChI=1S/C18H13NO3/c1-11(20)12-6-8-13(9-7-12)19-16-10-17(21)14-4-2-3-5-15(14)18(16)22/h2-10,19H,1H3
InChIKey NDDIJIVOPGSZDI-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C18H13NO3
Exact Mass 291.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID lxYnrzfYGF
Name 2-(4-Acetylphenylamino)-1,4-naphthoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.089543280 u
Formula C18H13NO3
InChI InChI=1S/C18H13NO3/c1-11(20)12-6-8-13(9-7-12)19-16-10-17(21)14-4-2-3-5-15(14)18(16)22/h2-10,19H,1H3
InChIKey NDDIJIVOPGSZDI-UHFFFAOYSA-N
SMILES C12=C(C=CC=C2)C(C(=CC1=O)NC1=CC=C(C=C1)C(C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806781