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Heptafluorobutyric acid, cyclopentyl ester

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Heptafluorobutyric acid, cyclopentyl ester
SpectraBase Compound ID 6QfGerIv87s
InChI InChI=1S/C9H9F7O2/c10-7(11,8(12,13)9(14,15)16)6(17)18-5-3-1-2-4-5/h5H,1-4H2
InChIKey VBSVARPICXSGHI-UHFFFAOYSA-N
Mol Weight 282.16 g/mol
Molecular Formula C9H9F7O2
Exact Mass 282.049077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3wDRBhcyseW
Name Heptafluorobutyric acid, cyclopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.049076669 u
Formula C9H9F7O2
InChI InChI=1S/C9H9F7O2/c10-7(11,8(12,13)9(14,15)16)6(17)18-5-3-1-2-4-5/h5H,1-4H2
InChIKey VBSVARPICXSGHI-UHFFFAOYSA-N
Molecular Weight 282.158 g/mol
SMILES C1(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930556