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benzo[lmn]3,8-phenanthroline-1,3,6,8(2H,7H)-tetrone

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

benzo[lmn]3,8-phenanthroline-1,3,6,8(2H,7H)-tetrone
SpectraBase Compound ID 8HvioOeX667
InChI InChI=1S/C14H6N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-4H,(H,15,17,19)(H,16,18,20)
InChIKey BODUWJSFPLUDMP-UHFFFAOYSA-N
Mol Weight 266.21 g/mol
Molecular Formula C14H6N2O4
Exact Mass 266.032757 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2x2UICVFRMO
Name 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-diimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.032756677 u
Formula C14H6N2O4
InChI InChI=1S/C14H6N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-4H,(H,15,17,19)(H,16,18,20)
InChIKey BODUWJSFPLUDMP-UHFFFAOYSA-N
SMILES C1(=O)NC(=O)C=2C=3C1=CC=C1C3C(=CC2)C(=O)NC1=O
Spectrum/Structure Validation Score (Raman) 0.953875