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Guaiacol, heptafluorobutyrate
SpectraBase Compound ID 4YH9wCpLQgs
InChI InChI=1S/C11H7F7O3/c1-20-6-4-2-3-5-7(6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey CYKUGBBGPBVNEU-UHFFFAOYSA-N
Mol Weight 320.16 g/mol
Molecular Formula C11H7F7O3
Exact Mass 320.028341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KreCq3FTRD9
Name Guaiacol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.028341223 u
Formula C11H7F7O3
InChI InChI=1S/C11H7F7O3/c1-20-6-4-2-3-5-7(6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey CYKUGBBGPBVNEU-UHFFFAOYSA-N
Molecular Weight 320.163 g/mol
SMILES C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961793