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Methyl 2-oxo-5,6-diphenyl-2H-pyran-3-carboxylate

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Methyl 2-oxo-5,6-diphenyl-2H-pyran-3-carboxylate
SpectraBase Compound ID JZUzrhdLHTo
InChI InChI=1S/C19H14O4/c1-22-18(20)16-12-15(13-8-4-2-5-9-13)17(23-19(16)21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey RNVZAYXGIIZQAR-UHFFFAOYSA-N
Mol Weight 306.32 g/mol
Molecular Formula C19H14O4
Exact Mass 306.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CB9Z7arMM4O
Name Methyl 2-oxo-5,6-diphenyl-2H-pyran-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.089208927 u
Formula C19H14O4
InChI InChI=1S/C19H14O4/c1-22-18(20)16-12-15(13-8-4-2-5-9-13)17(23-19(16)21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey RNVZAYXGIIZQAR-UHFFFAOYSA-N
Molecular Weight 306.317 g/mol
SMILES C1(C(=CC(=C(O1)C=1C=CC=CC1)C=1C=CC=CC1)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928244