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3-Phenoxypropyl 2,2,3,3,3-pentafluoropropanoate

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3-Phenoxypropyl 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID xSz90yeCCm
InChI InChI=1S/C12H11F5O3/c13-11(14,12(15,16)17)10(18)20-8-4-7-19-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey VCSXYEUPLBDCRJ-UHFFFAOYSA-N
Mol Weight 298.21 g/mol
Molecular Formula C12H11F5O3
Exact Mass 298.062835 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WBgxcODr81
Name 3-Phenoxypropyl 2,2,3,3,3-pentafluoropropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.062835026 u
Formula C12H11F5O3
InChI InChI=1S/C12H11F5O3/c13-11(14,12(15,16)17)10(18)20-8-4-7-19-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey VCSXYEUPLBDCRJ-UHFFFAOYSA-N
Molecular Weight 298.209 g/mol
SMILES C(CCOC1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973667