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4-sec-Butylphenol, o-pentafluoropropionyl-

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

4-sec-Butylphenol, o-pentafluoropropionyl-
SpectraBase Compound ID CHEKSOC9xmq
InChI InChI=1S/C13H13F5O2/c1-3-8(2)9-4-6-10(7-5-9)20-11(19)12(14,15)13(16,17)18/h4-8H,3H2,1-2H3
InChIKey LVKJHEBEOCWVRF-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 9PlrKacbbRA
Name 4-sec-Butylphenol, o-pentafluoropropionyl-
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/c1-3-8(2)9-4-6-10(7-5-9)20-11(19)12(14,15)13(16,17)18/h4-8H,3H2,1-2H3
InChIKey LVKJHEBEOCWVRF-UHFFFAOYSA-N
Molecular Weight 296.237 g/mol
SMILES C(CC)(C)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933013