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3-Hydroxy-5-phenyl-1-(pyridin-2-yl)-3-(trifluoromethyl)pent-4-yn-1-one
SpectraBase Compound ID GpQkIOFBG63
InChI InChI=1S/C17H12F3NO2/c18-17(19,20)16(23,10-9-13-6-2-1-3-7-13)12-15(22)14-8-4-5-11-21-14/h1-8,11,23H,12H2
InChIKey GTJYZASSTVHWHV-UHFFFAOYSA-N
Mol Weight 319.28 g/mol
Molecular Formula C17H12F3NO2
Exact Mass 319.082013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXGojUHhPR3
Name 3-Hydroxy-5-phenyl-1-(pyridin-2-yl)-3-(trifluoromethyl)pent-4-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F3NO2
InChI InChI=1S/C17H12F3NO2/c18-17(19,20)16(23,10-9-13-6-2-1-3-7-13)12-15(22)14-8-4-5-11-21-14/h1-8,11,23H,12H2
InChIKey GTJYZASSTVHWHV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 319.283 g/mol
SMILES OC(CC(=O)c1ncccc1)(C#Cc1ccccc1)C(F)(F)F
SPLASH splash10-004i-1920000000-940bbb0193a16879c970
Source of Spectrum ASC-355-584-3n
Wiley ID 1761874