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Heptafluorobutyric acid, 2-tetrahydrofurylmethyl ester

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Heptafluorobutyric acid, 2-tetrahydrofurylmethyl ester
SpectraBase Compound ID AKNsUkbu3gu
InChI InChI=1S/C9H9F7O3/c10-7(11,8(12,13)9(14,15)16)6(17)19-4-5-2-1-3-18-5/h5H,1-4H2
InChIKey PPCKTBCONSTEDT-UHFFFAOYSA-N
Mol Weight 298.16 g/mol
Molecular Formula C9H9F7O3
Exact Mass 298.043991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 968QiYhxpmP
Name Heptafluorobutyric acid, 2-tetrahydrofurylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.043991288 u
Formula C9H9F7O3
InChI InChI=1S/C9H9F7O3/c10-7(11,8(12,13)9(14,15)16)6(17)19-4-5-2-1-3-18-5/h5H,1-4H2
InChIKey PPCKTBCONSTEDT-UHFFFAOYSA-N
Molecular Weight 298.157 g/mol
SMILES C(C(C(C(=O)OCC1OCCC1)(F)F)(F)F)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926553