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7-(Trifluoroacetyl)oxycoumarin

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

7-(Trifluoroacetyl)oxycoumarin
SpectraBase Compound ID 6QrNEdyyWeo
InChI InChI=1S/C11H5F3O4/c12-11(13,14)10(16)17-7-3-1-6-2-4-9(15)18-8(6)5-7/h1-5H
InChIKey YFPCZFSCLZVSSY-UHFFFAOYSA-N
Mol Weight 258.15 g/mol
Molecular Formula C11H5F3O4
Exact Mass 258.013993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9PMfLAX9zq3
Name 7-(Trifluoroacetyl)oxycoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.013993126 u
Formula C11H5F3O4
InChI InChI=1S/C11H5F3O4/c12-11(13,14)10(16)17-7-3-1-6-2-4-9(15)18-8(6)5-7/h1-5H
InChIKey YFPCZFSCLZVSSY-UHFFFAOYSA-N
Molecular Weight 258.152 g/mol
SMILES C1(=CC=C2C(=C1)OC(=O)C=C2)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862271