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6-Cyclohexyl-3-hydroxy-1-(pyridin-2-yl)-3-(trifluoromethyl)hex-4-yn-1-one
SpectraBase Compound ID 144V9h70tpw
InChI InChI=1S/C18H20F3NO2/c19-18(20,21)17(24,11-6-9-14-7-2-1-3-8-14)13-16(23)15-10-4-5-12-22-15/h4-5,10,12,14,24H,1-3,7-9,13H2
InChIKey QHKHNMMVGCVWEA-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C18H20F3NO2
Exact Mass 339.144613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40ErV9O8gUh
Name 6-Cyclohexyl-3-hydroxy-1-(pyridin-2-yl)-3-(trifluoromethyl)hex-4-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3NO2
InChI InChI=1S/C18H20F3NO2/c19-18(20,21)17(24,11-6-9-14-7-2-1-3-8-14)13-16(23)15-10-4-5-12-22-15/h4-5,10,12,14,24H,1-3,7-9,13H2
InChIKey QHKHNMMVGCVWEA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 339.358 g/mol
SMILES OC(CC(=O)c1ncccc1)(C#CCC1CCCCC1)C(F)(F)F
SPLASH splash10-0089-6922000000-b438f4d3df76f0e19310
Source of Spectrum ASC-355-584-3p
Wiley ID 1761876