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Ethyl 4,4-difluoropentanoate
SpectraBase Compound ID DpF5Zitr5rn
InChI InChI=1S/C7H12F2O2/c1-3-11-6(10)4-5-7(2,8)9/h3-5H2,1-2H3
InChIKey BMPDDDGLNXKZFD-UHFFFAOYSA-N
Mol Weight 166.17 g/mol
Molecular Formula C7H12F2O2
Exact Mass 166.080536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LWyd4k3XbgV
Name Ethyl 4,4-difluoropentanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.080535950 u
Formula C7H12F2O2
InChI InChI=1S/C7H12F2O2/c1-3-11-6(10)4-5-7(2,8)9/h3-5H2,1-2H3
InChIKey BMPDDDGLNXKZFD-UHFFFAOYSA-N
Molecular Weight 166.168 g/mol
SMILES C(F)(F)(CCC(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959629