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 |
SpectraBase Spectrum ID | LWyd4k3XbgV |
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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 |