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Methyl 4-pentafluoropropionyloxybenzoate

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

Methyl 4-pentafluoropropionyloxybenzoate
SpectraBase Compound ID IJmUxvJ3d7L
InChI InChI=1S/C11H7F5O4/c1-19-8(17)6-2-4-7(5-3-6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKey LXOVPSNUOJLEAM-UHFFFAOYSA-N
Mol Weight 298.17 g/mol
Molecular Formula C11H7F5O4
Exact Mass 298.02645 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3oGlqaqLuvY
Name Methyl 4-pentafluoropropionyloxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.026449516 u
Formula C11H7F5O4
InChI InChI=1S/C11H7F5O4/c1-19-8(17)6-2-4-7(5-3-6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKey LXOVPSNUOJLEAM-UHFFFAOYSA-N
Molecular Weight 298.165 g/mol
SMILES C1(=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983931