SpectraBase Compound ID | 1FNaKI4W9gA |
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InChI | InChI=1S/C9H14F2O4/c10-4-6-14-8(12)2-1-3-9(13)15-7-5-11/h1-7H2 |
InChIKey | VQBACQRZUFWLSX-UHFFFAOYSA-N |
Mol Weight | 224.2 g/mol |
Molecular Formula | C9H14F2O4 |
Exact Mass | 224.086015 g/mol |
SpectraBase Spectrum ID | 4ldEt0zF9U3 |
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Name | Glutaric acid, di(2-fluoroethyl) ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 224.086015253 u |
Formula | C9H14F2O4 |
InChI | InChI=1S/C9H14F2O4/c10-4-6-14-8(12)2-1-3-9(13)15-7-5-11/h1-7H2 |
InChIKey | VQBACQRZUFWLSX-UHFFFAOYSA-N |
Molecular Weight | 224.204 g/mol |
SMILES | C(CCC(OCCF)=O)C(OCCF)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984194 |