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4-(2-Fluoro-1-oxoprop-2-enyl)benzoic acid ethyl ester

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4-(2-Fluoro-1-oxoprop-2-enyl)benzoic acid ethyl ester
SpectraBase Compound ID CRUjmj8G592
InChI InChI=1S/C12H11FO3/c1-3-16-12(15)10-6-4-9(5-7-10)11(14)8(2)13/h4-7H,2-3H2,1H3
InChIKey MNUPTCYGZUBCDN-UHFFFAOYSA-N
Mol Weight 222.22 g/mol
Molecular Formula C12H11FO3
Exact Mass 222.069222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2FyDNLNrKeH
Name 4-(2-Fluoro-1-oxoprop-2-enyl)benzoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.069222374 u
Formula C12H11FO3
InChI InChI=1S/C12H11FO3/c1-3-16-12(15)10-6-4-9(5-7-10)11(14)8(2)13/h4-7H,2-3H2,1H3
InChIKey MNUPTCYGZUBCDN-UHFFFAOYSA-N
Molecular Weight 222.215 g/mol
SMILES C(C(=C)F)(=O)C=1C=CC(=CC1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945929