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(E)-6-Methyl-9-phenyl-1,1,1-trifluoronon-6-ene-2-one

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

(E)-6-Methyl-9-phenyl-1,1,1-trifluoronon-6-ene-2-one
SpectraBase Compound ID 5ufY2AHn3Hp
InChI InChI=1S/C16H19F3O/c1-13(8-6-12-15(20)16(17,18)19)7-5-11-14-9-3-2-4-10-14/h2-4,7,9-10H,5-6,8,11-12H2,1H3/b13-7+
InChIKey YVANGKULIJTNCL-NTUHNPAUSA-N
Mol Weight 284.32 g/mol
Molecular Formula C16H19F3O
Exact Mass 284.1388 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3chCkhaVHcB
Name (E)-6-Methyl-9-phenyl-1,1,1-trifluoronon-6-ene-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.138799720 u
Formula C16H19F3O
InChI InChI=1S/C16H19F3O/c1-13(8-6-12-15(20)16(17,18)19)7-5-11-14-9-3-2-4-10-14/h2-4,7,9-10H,5-6,8,11-12H2,1H3/b13-7+
InChIKey YVANGKULIJTNCL-NTUHNPAUSA-N
Molecular Weight 284.322 g/mol
SMILES C(C(=O)CCC\C(=C\CCC1=CC=CC=C1)C)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839691