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Methyl salicylate, o-pentafluoropropionyl-

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Methyl salicylate, o-pentafluoropropionyl-
SpectraBase Compound ID 4JQCxWmNrUQ
InChI InChI=1S/C11H7F5O4/c1-19-8(17)6-4-2-3-5-7(6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKey MQJVYGPSPPVQCR-UHFFFAOYSA-N
Mol Weight 298.17 g/mol
Molecular Formula C11H7F5O4
Exact Mass 298.02645 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HDVaTHzkEGE
Name Methyl salicylate, o-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.026449516 u
Formula C11H7F5O4
InChI InChI=1S/C11H7F5O4/c1-19-8(17)6-4-2-3-5-7(6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKey MQJVYGPSPPVQCR-UHFFFAOYSA-N
Molecular Weight 298.165 g/mol
SMILES C1(=CC=CC=C1C(OC)=O)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976227