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1-[4-(Trifluoromethyl)phenyl]pentane-1,4-dione

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

1-[4-(Trifluoromethyl)phenyl]pentane-1,4-dione
SpectraBase Compound ID 5ZgIVdFlUZ4
InChI InChI=1S/C12H11F3O2/c1-8(16)2-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7H2,1H3
InChIKey FSQOMVVVHIEDQW-UHFFFAOYSA-N
Mol Weight 244.21 g/mol
Molecular Formula C12H11F3O2
Exact Mass 244.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IVD0OwAKvNO
Name 1-[4-(Trifluoromethyl)phenyl]pentane-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.071114081 u
Formula C12H11F3O2
InChI InChI=1S/C12H11F3O2/c1-8(16)2-7-11(17)9-3-5-10(6-4-9)12(13,14)15/h3-6H,2,7H2,1H3
InChIKey FSQOMVVVHIEDQW-UHFFFAOYSA-N
Molecular Weight 244.213 g/mol
SMILES C(C1=CC=C(C(=O)CCC(=O)C)C=C1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821266