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Heptafluorobutyric acid, 3-methyl ester

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

Heptafluorobutyric acid, 3-methyl ester
SpectraBase Compound ID 7p11Em0U2cb
InChI InChI=1S/C11H7F7O2/c1-6-3-2-4-7(5-6)20-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey NTTFSSUNLZOBKZ-UHFFFAOYSA-N
Mol Weight 304.16 g/mol
Molecular Formula C11H7F7O2
Exact Mass 304.033427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kbxlnv7oW38
Name Heptafluorobutyric acid, 3-methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.033426604 u
Formula C11H7F7O2
InChI InChI=1S/C11H7F7O2/c1-6-3-2-4-7(5-6)20-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey NTTFSSUNLZOBKZ-UHFFFAOYSA-N
Molecular Weight 304.164 g/mol
SMILES C(C(C(C(OC=1C=CC=C(C)C1)=O)(F)F)(F)F)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922446