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1,1,1,3,3,3-Hexafluoropropan-2-yl 3-phenylpropanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-phenylpropanoate
SpectraBase Compound ID FjCl9D4Flfl
InChI InChI=1S/C12H10F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey HBWNOCIGYPTDGA-UHFFFAOYSA-N
Mol Weight 300.2 g/mol
Molecular Formula C12H10F6O2
Exact Mass 300.058499 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1QVqIVJR95G
Name 1,1,1,3,3,3-Hexafluoropropan-2-yl 3-phenylpropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.058498538 u
Formula C12H10F6O2
InChI InChI=1S/C12H10F6O2/c13-11(14,15)10(12(16,17)18)20-9(19)7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey HBWNOCIGYPTDGA-UHFFFAOYSA-N
Molecular Weight 300.200 g/mol
SMILES C=1(C=CC=CC1)CCC(OC(C(F)(F)F)C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846635