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2,4-Pentanedione, 1,1,1-trifluoro-5-phenyl-

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2,4-Pentanedione, 1,1,1-trifluoro-5-phenyl-
SpectraBase Compound ID EPcaVSbBN0l
InChI InChI=1S/C11H9F3O2/c12-11(13,14)10(16)7-9(15)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey OVRDABGVYJAEBI-UHFFFAOYSA-N
Mol Weight 230.19 g/mol
Molecular Formula C11H9F3O2
Exact Mass 230.055464 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LbrsylD7QjC
Name 2,4-Pentanedione, 1,1,1-trifluoro-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.055464017 u
Formula C11H9F3O2
InChI InChI=1S/C11H9F3O2/c12-11(13,14)10(16)7-9(15)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey OVRDABGVYJAEBI-UHFFFAOYSA-N
Molecular Weight 230.186 g/mol
SMILES C(CC1=CC=CC=C1)(CC(C(F)(F)F)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925345