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3-Phenoxypropyl 2,2,2-trifluoroacetate

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

3-Phenoxypropyl 2,2,2-trifluoroacetate
SpectraBase Compound ID 1AZjntuJYzU
InChI InChI=1S/C11H11F3O3/c12-11(13,14)10(15)17-8-4-7-16-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey NKHOOSPTQZZMDE-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 GeHj5XoBPTo
Name 3-Phenoxypropyl 2,2,2-trifluoroacetate
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/c12-11(13,14)10(15)17-8-4-7-16-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey NKHOOSPTQZZMDE-UHFFFAOYSA-N
Molecular Weight 248.201 g/mol
SMILES C(CCOC1=CC=CC=C1)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921465