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Sesamol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

Sesamol, heptafluorobutyrate
SpectraBase Compound ID IfaSOJHm4e2
InChI InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(19)22-5-1-2-6-7(3-5)21-4-20-6/h1-3H,4H2
InChIKey WXAKSRSSPYVEHR-UHFFFAOYSA-N
Mol Weight 334.15 g/mol
Molecular Formula C11H5F7O4
Exact Mass 334.007606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LtIdkjERi0b
Name Sesamol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.007605778 u
Formula C11H5F7O4
InChI InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(19)22-5-1-2-6-7(3-5)21-4-20-6/h1-3H,4H2
InChIKey WXAKSRSSPYVEHR-UHFFFAOYSA-N
Molecular Weight 334.146 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954542