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Heptafluorobutyric acid, 2-isopropoxyphenyl ester

View entire compound with spectra: 1 FTIR

Heptafluorobutyric acid, 2-isopropoxyphenyl ester
SpectraBase Compound ID 2T5N7BAzUCe
InChI InChI=1S/C13H11F7O3/c1-7(2)22-8-5-3-4-6-9(8)23-10(21)11(14,15)12(16,17)13(18,19)20/h3-7H,1-2H3
InChIKey ROJCOPNQPRDSSD-UHFFFAOYSA-N
Mol Weight 348.22 g/mol
Molecular Formula C13H11F7O3
Exact Mass 348.059641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9GiTtdfHj3f
Name Heptafluorobutyric acid, 2-isopropoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.059641352 u
Formula C13H11F7O3
InChI InChI=1S/C13H11F7O3/c1-7(2)22-8-5-3-4-6-9(8)23-10(21)11(14,15)12(16,17)13(18,19)20/h3-7H,1-2H3
InChIKey ROJCOPNQPRDSSD-UHFFFAOYSA-N
Molecular Weight 348.217 g/mol
SMILES C(C(C(F)(F)C(OC=1C(OC(C)C)=CC=CC1)=O)(F)F)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954788