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2-{[(4-chlorophenyl)methyl]amino}naphthalene-1,4-dione

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

2-{[(4-chlorophenyl)methyl]amino}naphthalene-1,4-dione
SpectraBase Compound ID BaUlvClAYGd
InChI InChI=1S/C17H12ClNO2/c18-12-7-5-11(6-8-12)10-19-15-9-16(20)13-3-1-2-4-14(13)17(15)21/h1-9,19H,10H2
InChIKey FMHPXRQYSYQZLE-UHFFFAOYSA-N
Mol Weight 297.74 g/mol
Molecular Formula C17H12ClNO2
Exact Mass 297.055656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A8OKVUOFlrF
Name 2-{[(4-chlorophenyl)methyl]amino}naphthalene-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.055656328 u
Formula C17H12ClNO2
InChI InChI=1S/C17H12ClNO2/c18-12-7-5-11(6-8-12)10-19-15-9-16(20)13-3-1-2-4-14(13)17(15)21/h1-9,19H,10H2
InChIKey FMHPXRQYSYQZLE-UHFFFAOYSA-N
Molecular Weight 297.741 g/mol
SMILES C1=C(C(C=2C(C1=O)=CC=CC2)=O)NCC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81008