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4-Fluorobenzyl alcohol, pentafluoropropionate

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

4-Fluorobenzyl alcohol, pentafluoropropionate
SpectraBase Compound ID HCbRi0RYVpR
InChI InChI=1S/C10H6F6O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChIKey KEKOHKWTKLUVLH-UHFFFAOYSA-N
Mol Weight 272.15 g/mol
Molecular Formula C10H6F6O2
Exact Mass 272.027198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I5ZIfGoOZLh
Name 4-Fluorobenzyl alcohol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.027198409 u
Formula C10H6F6O2
InChI InChI=1S/C10H6F6O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChIKey KEKOHKWTKLUVLH-UHFFFAOYSA-N
Molecular Weight 272.146 g/mol
SMILES C1=CC(=CC=C1COC(C(C(F)(F)F)(F)F)=O)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884395