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Heptafluorobutyric acid, 2-methylpropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Heptafluorobutyric acid, 2-methylpropyl ester
SpectraBase Compound ID B4vPssDg11M
InChI InChI=1S/C8H9F7O2/c1-4(2)3-17-5(16)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3
InChIKey PTTNLWHRSGDGJX-UHFFFAOYSA-N
Mol Weight 270.15 g/mol
Molecular Formula C8H9F7O2
Exact Mass 270.049077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9kjmjRv2jiZ
Name Heptafluorobutyric acid, 2-methylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.049076669 u
Formula C8H9F7O2
InChI InChI=1S/C8H9F7O2/c1-4(2)3-17-5(16)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3
InChIKey PTTNLWHRSGDGJX-UHFFFAOYSA-N
Molecular Weight 270.147 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954319