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2,4-Dimethylphenyl pentafluoropropionate

View entire compound with spectra: 1 FTIR

2,4-Dimethylphenyl pentafluoropropionate
SpectraBase Compound ID 8ukLLsht5zu
InChI InChI=1S/C11H9F5O2/c1-6-3-4-8(7(2)5-6)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKey PRZVGFWXHXSOTH-UHFFFAOYSA-N
Mol Weight 268.18 g/mol
Molecular Formula C11H9F5O2
Exact Mass 268.05227 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E2EjgckuUcp
Name 2,4-Dimethylphenyl pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.052270343 u
Formula C11H9F5O2
InChI InChI=1S/C11H9F5O2/c1-6-3-4-8(7(2)5-6)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKey PRZVGFWXHXSOTH-UHFFFAOYSA-N
Molecular Weight 268.183 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934663