2-[(4-Hydroxy-5-methyl-2-nitrophenyl)amino]-1,4-dihydronaphthalene-1,4-dione

SpectraBase Compound ID	3njvnFpyUhG
InChI	InChI=1S/C17H12N2O5/c1-9-6-12(14(19(23)24)8-15(9)20)18-13-7-16(21)10-4-2-3-5-11(10)17(13)22/h2-8,18,20H,1H3
InChIKey	KFRAZOGBQHJJLW-UHFFFAOYSA-N Google Search
Mol Weight	324.29 g/mol
Molecular Formula	C17H12N2O5
Exact Mass	324.074621 g/mol

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SpectraBase Spectrum ID	JN9QJcqoiCt
Name	2-[(4-Hydroxy-5-methyl-2-nitrophenyl)amino]-1,4-dihydronaphthalene-1,4-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	324.074621489 u
Formula	C17H12N2O5
InChI	InChI=1S/C17H12N2O5/c1-9-6-12(14(19(23)24)8-15(9)20)18-13-7-16(21)10-4-2-3-5-11(10)17(13)22/h2-8,18,20H,1H3
InChIKey	KFRAZOGBQHJJLW-UHFFFAOYSA-N
Molecular Weight	324.292 g/mol
SMILES	C1(C2=C(C=CC=C2)C(C(=C1)NC=1C=C(C(=CC1N(=O)=O)O)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.855824