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4,6-bis(4-Nitrophenyl)pyrimidin-2(1H)-one

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4,6-bis(4-Nitrophenyl)pyrimidin-2(1H)-one
SpectraBase Compound ID BFl3qnMhLyG
InChI InChI=1S/C16H10N4O5/c21-16-17-14(10-1-5-12(6-2-10)19(22)23)9-15(18-16)11-3-7-13(8-4-11)20(24)25/h1-9H,(H,17,18,21)
InChIKey GRGNHAMPANRYGE-UHFFFAOYSA-N
Mol Weight 338.28 g/mol
Molecular Formula C16H10N4O5
Exact Mass 338.065119 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6VpsKTBhGN
Name 4,6-bis(4-Nitrophenyl)pyrimidin-2(1H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.065119433 u
Formula C16H10N4O5
InChI InChI=1S/C16H10N4O5/c21-16-17-14(10-1-5-12(6-2-10)19(22)23)9-15(18-16)11-3-7-13(8-4-11)20(24)25/h1-9H,(H,17,18,21)
InChIKey GRGNHAMPANRYGE-UHFFFAOYSA-N
Molecular Weight 338.279 g/mol
SMILES C1(=CC(=NC(N1)=O)C1=CC=C(C=C1)N(=O)=O)C1=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849445