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4-Tert-butylphenol, o-heptafluorobutyryl-

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

4-Tert-butylphenol, o-heptafluorobutyryl-
SpectraBase Compound ID GmgrYs6yXs9
InChI InChI=1S/C14H13F7O2/c1-11(2,3)8-4-6-9(7-5-8)23-10(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3
InChIKey VIAAJORBPCOLRY-UHFFFAOYSA-N
Mol Weight 346.24 g/mol
Molecular Formula C14H13F7O2
Exact Mass 346.080377 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ATkfBvg18zT
Name 4-Tert-butylphenol, o-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.080376798 u
Formula C14H13F7O2
InChI InChI=1S/C14H13F7O2/c1-11(2,3)8-4-6-9(7-5-8)23-10(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3
InChIKey VIAAJORBPCOLRY-UHFFFAOYSA-N
Molecular Weight 346.245 g/mol
SMILES C(C)(C)(C)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905998