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2-oxo-3-Phenyl-2H-pyrane-6-carboxylic acid, ethyl ester

View entire compound with spectra: 1 FTIR

2-oxo-3-Phenyl-2H-pyrane-6-carboxylic acid, ethyl ester
SpectraBase Compound ID FcOw64USbwA
InChI InChI=1S/C14H12O4/c1-2-17-14(16)12-9-8-11(13(15)18-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey YHSJUBLDCIOIHW-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7WKNxNtnNbt
Name 2-oxo-3-Phenyl-2H-pyrane-6-carboxylic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.073558862 u
Formula C14H12O4
InChI InChI=1S/C14H12O4/c1-2-17-14(16)12-9-8-11(13(15)18-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey YHSJUBLDCIOIHW-UHFFFAOYSA-N
Molecular Weight 244.246 g/mol
SMILES C1=CC=C(C=C1)C=1C(OC(=CC1)C(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907585