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2,2-Difluoro-1-phenyl-1-nonanone

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

2,2-Difluoro-1-phenyl-1-nonanone
SpectraBase Compound ID 8vbjaRTrEM6
InChI InChI=1S/C15H20F2O/c1-2-3-4-5-9-12-15(16,17)14(18)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey XWPJQAFTIVRKQT-UHFFFAOYSA-N
Mol Weight 254.32 g/mol
Molecular Formula C15H20F2O
Exact Mass 254.148222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E4vWNmDzr7g
Name 2,2-Difluoro-1-phenyl-1-nonanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.148221589 u
Formula C15H20F2O
InChI InChI=1S/C15H20F2O/c1-2-3-4-5-9-12-15(16,17)14(18)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey XWPJQAFTIVRKQT-UHFFFAOYSA-N
Molecular Weight 254.321 g/mol
SMILES C(C(=O)C=1C=CC=CC1)(F)(F)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830465