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4-Fluorophenethyl alcohol, heptafluorobutyrate

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

4-Fluorophenethyl alcohol, heptafluorobutyrate
SpectraBase Compound ID GLWocTOYzSV
InChI InChI=1S/C12H8F8O2/c13-8-3-1-7(2-4-8)5-6-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2
InChIKey KFZPSRDRNRMLRF-UHFFFAOYSA-N
Mol Weight 336.18 g/mol
Molecular Formula C12H8F8O2
Exact Mass 336.039655 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5wDn4qDhBxP
Name 4-Fluorophenethyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.039654800 u
Formula C12H8F8O2
InChI InChI=1S/C12H8F8O2/c13-8-3-1-7(2-4-8)5-6-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-4H,5-6H2
InChIKey KFZPSRDRNRMLRF-UHFFFAOYSA-N
Molecular Weight 336.181 g/mol
SMILES C1=CC(=CC=C1CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948153