1,4-Naphthalenedione, 2-chloro-3-[methyl(phenylmethyl)amino]-

SpectraBase Compound ID	ErmWwpOx8qm
InChI	InChI=1S/C18H14ClNO2/c1-20(11-12-7-3-2-4-8-12)16-15(19)17(21)13-9-5-6-10-14(13)18(16)22/h2-10H,11H2,1H3
InChIKey	QIKWDCIQYHBHOD-UHFFFAOYSA-N Google Search
Mol Weight	311.77 g/mol
Molecular Formula	C18H14ClNO2
Exact Mass	311.071306 g/mol

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SpectraBase Spectrum ID	Fk9s2fYhNeF
Name	1,4-Naphthalenedione, 2-chloro-3-[methyl(phenylmethyl)amino]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	311.071306393 u
Formula	C18H14ClNO2
InChI	InChI=1S/C18H14ClNO2/c1-20(11-12-7-3-2-4-8-12)16-15(19)17(21)13-9-5-6-10-14(13)18(16)22/h2-10H,11H2,1H3
InChIKey	QIKWDCIQYHBHOD-UHFFFAOYSA-N
Molecular Weight	311.768 g/mol
SMILES	CN(CC1=CC=CC=C1)C1=C(Cl)C(=O)C=2C(C1=O)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR)	0.882981