2-([3-Chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino)-1,4-dihydronaphthalene-1,4-dione

SpectraBase Compound ID	DPDAcSefJX7
InChI	InChI=1S/C17H10ClNO3/c1-9-6-10(7-13(18)16(9)21)19-14-8-15(20)11-4-2-3-5-12(11)17(14)22/h2-8H,1H3/b19-10-
InChIKey	ZOHLSTLFDHUAQL-GRSHGNNSSA-N Google Search
Mol Weight	311.72 g/mol
Molecular Formula	C17H10ClNO3
Exact Mass	311.034921 g/mol

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SpectraBase Spectrum ID	2Mtvtx22d2O
Name	2-([3-Chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]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	311.034920883 u
Formula	C17H10ClNO3
InChI	InChI=1S/C17H10ClNO3/c1-9-6-10(7-13(18)16(9)21)19-14-8-15(20)11-4-2-3-5-12(11)17(14)22/h2-8H,1H3/b19-10-
InChIKey	ZOHLSTLFDHUAQL-GRSHGNNSSA-N
Molecular Weight	311.724 g/mol
SMILES	C1=CC=CC2=C1C(C=C(C2=O)\N=C\1C=C(C(C(=C1)Cl)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.923239