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2-(4-Fluoro-phenyl)-5-hydroxy-5-methyl-4-oxo-cyclohexane-1,3-dicarboxylic acid diisopropyl ester

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2-(4-Fluoro-phenyl)-5-hydroxy-5-methyl-4-oxo-cyclohexane-1,3-dicarboxylic acid diisopropyl ester
SpectraBase Compound ID INSUuoE1r75
InChI InChI=1S/C21H27FO6/c1-11(2)27-19(24)15-10-21(5,26)18(23)17(20(25)28-12(3)4)16(15)13-6-8-14(22)9-7-13/h6-9,11-12,15-17,26H,10H2,1-5H3
InChIKey IHNLSGUEYFDDLL-UHFFFAOYSA-N
Mol Weight 394.44 g/mol
Molecular Formula C21H27FO6
Exact Mass 394.179167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CT7nMtSyEli
Name 1,3-cyclohexanedicarboxylic acid, 2-(4-fluorophenyl)-5-hydroxy-5-methyl-4-oxo-, bis(1-methylethyl) ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.179166746 u
Formula C21H27FO6
InChI InChI=1S/C21H27FO6/c1-11(2)27-19(24)15-10-21(5,26)18(23)17(20(25)28-12(3)4)16(15)13-6-8-14(22)9-7-13/h6-9,11-12,15-17,26H,10H2,1-5H3
InChIKey IHNLSGUEYFDDLL-UHFFFAOYSA-N
Molecular Weight 394.439 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3701
Solvent DMSO-d6
Source Vendor ID: NMR/9236430; Lab Info: GEI; Lab Number: GEI-G005636