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1,1,1,2,2-Pentafluoro-6-(4-methoxyphenyl)-3-hexanone

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1,1,1,2,2-Pentafluoro-6-(4-methoxyphenyl)-3-hexanone
SpectraBase Compound ID GWStp7tW6IV
InChI InChI=1S/C13H13F5O2/c1-20-10-7-5-9(6-8-10)3-2-4-11(19)12(14,15)13(16,17)18/h5-8H,2-4H2,1H3
InChIKey BGVUURBHISUOLH-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C13H13F5O2
Exact Mass 296.08357 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KaQXozsNo7G
Name 1,1,1,2,2-Pentafluoro-6-(4-methoxyphenyl)-3-hexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.083570472 u
Formula C13H13F5O2
InChI InChI=1S/C13H13F5O2/c1-20-10-7-5-9(6-8-10)3-2-4-11(19)12(14,15)13(16,17)18/h5-8H,2-4H2,1H3
InChIKey BGVUURBHISUOLH-UHFFFAOYSA-N
Molecular Weight 296.237 g/mol
SMILES C(C(F)(F)F)(C(=O)CCCC1=CC=C(C=C1)OC)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89659