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Heptafluorobutyric acid, N-pentyl ester

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Heptafluorobutyric acid, N-pentyl ester
SpectraBase Compound ID J50xnaC7THp
InChI InChI=1S/C9H11F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKey RLAQTSYDDYVBHR-UHFFFAOYSA-N
Mol Weight 284.17 g/mol
Molecular Formula C9H11F7O2
Exact Mass 284.064727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DBlZQTaqx5
Name Heptafluorobutyric acid, N-pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.064726733 u
Formula C9H11F7O2
InChI InChI=1S/C9H11F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3
InChIKey RLAQTSYDDYVBHR-UHFFFAOYSA-N
Molecular Weight 284.174 g/mol
SMILES CCCCCOC(C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941486