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Ethyl 3-oxo-3H-benzo[F]chromene-2-carboxylate

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

Ethyl 3-oxo-3H-benzo[F]chromene-2-carboxylate
SpectraBase Compound ID EZ6yKNa2ph4
InChI InChI=1S/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3
InChIKey FYOZSKRVTISLHE-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C16H12O4
Exact Mass 268.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KNspqfqFFeu
Name Ethyl 3-oxo-3H-benzo[F]chromene-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.073558862 u
Formula C16H12O4
InChI InChI=1S/C16H12O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-9H,2H2,1H3
InChIKey FYOZSKRVTISLHE-UHFFFAOYSA-N
SMILES C1(C(=CC2=C3C(=CC=C2O1)C=CC=C3)C(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931214