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4-Hydroxycoumarin, pentafluoropropionate

View entire compound with spectra: 1 FTIR

4-Hydroxycoumarin, pentafluoropropionate
SpectraBase Compound ID JK4vv8dzS6Z
InChI InChI=1S/C12H5F5O4/c13-11(14,12(15,16)17)10(19)21-8-5-9(18)20-7-4-2-1-3-6(7)8/h1-5H
InChIKey UPQMSHVFIYAWIP-UHFFFAOYSA-N
Mol Weight 308.16 g/mol
Molecular Formula C12H5F5O4
Exact Mass 308.010799 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IaWN2aDvlak
Name 4-Hydroxycoumarin, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.010799452 u
Formula C12H5F5O4
InChI InChI=1S/C12H5F5O4/c13-11(14,12(15,16)17)10(19)21-8-5-9(18)20-7-4-2-1-3-6(7)8/h1-5H
InChIKey UPQMSHVFIYAWIP-UHFFFAOYSA-N
Molecular Weight 308.160 g/mol
SMILES C12=CC=CC=C2C(=CC(O1)=O)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935256