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5-(9-Anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione

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

5-(9-Anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 8yrQNAJn2Bs
InChI InChI=1S/C19H12N2O3/c22-17-16(18(23)21-19(24)20-17)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H2,20,21,22,23,24)
InChIKey DOUGKDZIBIQOQP-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C19H12N2O3
Exact Mass 316.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EQ1pnRZ2vqB
Name 5-(9-Anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.084792251 u
Formula C19H12N2O3
InChI InChI=1S/C19H12N2O3/c22-17-16(18(23)21-19(24)20-17)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H2,20,21,22,23,24)
InChIKey DOUGKDZIBIQOQP-UHFFFAOYSA-N
Molecular Weight 316.316 g/mol
SMILES C1(NC(C(C(N1)=O)=CC1=C2C(=CC=3C1=CC=CC3)C=CC=C2)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96515