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Trifluoroaceic acid, 2-phenoxypropyl ester

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

Trifluoroaceic acid, 2-phenoxypropyl ester
SpectraBase Compound ID OQYZnq8BN9
InChI InChI=1S/C11H11F3O3/c1-8(7-16-10(15)11(12,13)14)17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey UBTDLURMVATLHL-UHFFFAOYSA-N
Mol Weight 248.2 g/mol
Molecular Formula C11H11F3O3
Exact Mass 248.066029 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Smhvs9ZNbp
Name Trifluoroaceic acid, 2-phenoxypropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.066028700 u
Formula C11H11F3O3
InChI InChI=1S/C11H11F3O3/c1-8(7-16-10(15)11(12,13)14)17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey UBTDLURMVATLHL-UHFFFAOYSA-N
Molecular Weight 248.201 g/mol
SMILES C1=CC(OC(COC(C(F)(F)F)=O)C)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929281