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Pentafluoropropanoic acid, 2-naphthyl ester

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Pentafluoropropanoic acid, 2-naphthyl ester
SpectraBase Compound ID NBbcNAPu0
InChI InChI=1S/C13H7F5O2/c14-12(15,13(16,17)18)11(19)20-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey SFLRHHHTTLFFRX-UHFFFAOYSA-N
Mol Weight 290.19 g/mol
Molecular Formula C13H7F5O2
Exact Mass 290.03662 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K9u0TdCsTNt
Name Pentafluoropropanoic acid, 2-naphthyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.036620278 u
Formula C13H7F5O2
InChI InChI=1S/C13H7F5O2/c14-12(15,13(16,17)18)11(19)20-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey SFLRHHHTTLFFRX-UHFFFAOYSA-N
Molecular Weight 290.189 g/mol
SMILES C1=CC2=C(C=C1)C=CC(OC(C(C(F)(F)F)(F)F)=O)=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839945