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1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-

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

1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-
SpectraBase Compound ID Fgn8S38PcDk
InChI InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKey WRZMHTIRFOFFPY-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 6HmKoKG5Tn3
Name 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-
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/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKey WRZMHTIRFOFFPY-UHFFFAOYSA-N
Molecular Weight 230.186 g/mol
SMILES C(C(C(F)(F)F)=O)C(C=1C=CC(C)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882589