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Ethyl 3,3-diphenyl-3-fluoropyruvate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Ethyl 3,3-diphenyl-3-fluoropyruvate
SpectraBase Compound ID GkxI3MNM3Ri
InChI InChI=1S/C17H15FO3/c1-2-21-16(20)15(19)17(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey KBBSAVZAPASQEA-UHFFFAOYSA-N
Mol Weight 286.3 g/mol
Molecular Formula C17H15FO3
Exact Mass 286.100523 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CIKKEbNOteA
Name Ethyl 3,3-diphenyl-3-fluoropyruvate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.100522503 u
Formula C17H15FO3
InChI InChI=1S/C17H15FO3/c1-2-21-16(20)15(19)17(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey KBBSAVZAPASQEA-UHFFFAOYSA-N
Molecular Weight 286.302 g/mol
SMILES C(C(C1=CC=CC=C1)(C1=CC=CC=C1)F)(C(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935954