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(E)-1-Cyclohexyl-2,2-difluoro-3-hydroxy-4-methyl-4-hexen-1-one
SpectraBase Compound ID 6I3N8GUbWfD
InChI InChI=1S/C13H20F2O2/c1-3-9(2)11(16)13(14,15)12(17)10-7-5-4-6-8-10/h3,10-11,16H,4-8H2,1-2H3/b9-3+
InChIKey PBYQYOBXQPPZOY-YCRREMRBSA-N
Mol Weight 246.3 g/mol
Molecular Formula C13H20F2O2
Exact Mass 246.143136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOQL25yiQBq
Name (E)-1-Cyclohexyl-2,2-difluoro-3-hydroxy-4-methyl-4-hexen-1-one
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1248857 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20F2O2
InChI InChI=1S/C13H20F2O2/c1-3-9(2)11(16)13(14,15)12(17)10-7-5-4-6-8-10/h3,10-11,16H,4-8H2,1-2H3/b9-3+
InChIKey PBYQYOBXQPPZOY-YCRREMRBSA-N
Molecular Weight 246.298 g/mol
SMILES OC(C(C(=O)C1CCCCC1)(F)F)\C(=C\C)C
SPLASH splash10-03di-0900000000-2e4baf1b54f90f238a81
Source of Spectrum AJ-63-433-4
Synonyms (4E)-1-cyclohexyl-2,2-difluoro-3-hydroxy-4-methyl-4-hexen-1-one
Wiley ID 1821069