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Sesamol, pentafluoropropionate

View entire compound with spectra: 1 FTIR

Sesamol, pentafluoropropionate
SpectraBase Compound ID vQAjzHq9Rp
InChI InChI=1S/C10H5F5O4/c11-9(12,10(13,14)15)8(16)19-5-1-2-6-7(3-5)18-4-17-6/h1-3H,4H2
InChIKey OUBGFOAFORUSJY-UHFFFAOYSA-N
Mol Weight 284.14 g/mol
Molecular Formula C10H5F5O4
Exact Mass 284.010799 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KzSVwWxiJNq
Name Sesamol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.010799452 u
Formula C10H5F5O4
InChI InChI=1S/C10H5F5O4/c11-9(12,10(13,14)15)8(16)19-5-1-2-6-7(3-5)18-4-17-6/h1-3H,4H2
InChIKey OUBGFOAFORUSJY-UHFFFAOYSA-N
Molecular Weight 284.138 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884601