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(2R,6R)-2-(4-Fluoro-phenyl)-6-methyl-tetrahydro-pyran-4-one

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

(2R,6R)-2-(4-Fluoro-phenyl)-6-methyl-tetrahydro-pyran-4-one
SpectraBase Compound ID FkjrB31Gg0j
InChI InChI=1S/C12H13FO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-5,8,12H,6-7H2,1H3/t8-,12-/m1/s1
InChIKey CURHIHWLZVMTAH-PRHODGIISA-N
Mol Weight 208.23 g/mol
Molecular Formula C12H13FO2
Exact Mass 208.089958 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CTUjNLBexfI
Name (2R,6R)-2-(4-Fluoro-phenyl)-6-methyl-tetrahydro-pyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.089957820 u
Formula C12H13FO2
InChI InChI=1S/C12H13FO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-5,8,12H,6-7H2,1H3/t8-,12-/m1/s1
InChIKey CURHIHWLZVMTAH-PRHODGIISA-N
Molecular Weight 208.232 g/mol
SMILES [C@@]1(O[C@@](CC(C1)=O)(C)[H])(C=1C=CC(=CC1)F)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963713