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6-(Pentafluoropropionyl)oxy-4-methylcoumarin

View entire compound with spectra: 1 FTIR

6-(Pentafluoropropionyl)oxy-4-methylcoumarin
SpectraBase Compound ID GTTtBUhtyM7
InChI InChI=1S/C13H7F5O4/c1-6-4-10(19)22-9-3-2-7(5-8(6)9)21-11(20)12(14,15)13(16,17)18/h2-5H,1H3
InChIKey ZQDOUNTVHPDQID-UHFFFAOYSA-N
Mol Weight 322.19 g/mol
Molecular Formula C13H7F5O4
Exact Mass 322.02645 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9k7uBBSVvnQ
Name 6-(Pentafluoropropionyl)oxy-4-methylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.026449516 u
Formula C13H7F5O4
InChI InChI=1S/C13H7F5O4/c1-6-4-10(19)22-9-3-2-7(5-8(6)9)21-11(20)12(14,15)13(16,17)18/h2-5H,1H3
InChIKey ZQDOUNTVHPDQID-UHFFFAOYSA-N
Molecular Weight 322.187 g/mol
SMILES C1=C(C=C2C(=C1)OC(=O)C=C2C)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925145