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3-Hydroxy-5-(4-methoxyphenyl)-1-(pyridin-2-yl)-3-(trifluoromethyl)pent-4-yn-1-one
SpectraBase Compound ID 4SyorVlGfHu
InChI InChI=1S/C18H14F3NO3/c1-25-14-7-5-13(6-8-14)9-10-17(24,18(19,20)21)12-16(23)15-4-2-3-11-22-15/h2-8,11,24H,12H2,1H3
InChIKey KSUGNKYPMUQEFT-UHFFFAOYSA-N
Mol Weight 349.31 g/mol
Molecular Formula C18H14F3NO3
Exact Mass 349.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ox0XHKPB9n
Name 3-Hydroxy-5-(4-methoxyphenyl)-1-(pyridin-2-yl)-3-(trifluoromethyl)pent-4-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F3NO3
InChI InChI=1S/C18H14F3NO3/c1-25-14-7-5-13(6-8-14)9-10-17(24,18(19,20)21)12-16(23)15-4-2-3-11-22-15/h2-8,11,24H,12H2,1H3
InChIKey KSUGNKYPMUQEFT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 349.309 g/mol
SMILES OC(CC(c1ncccc1)=O)(C#Cc1ccc(cc1)OC)C(F)(F)F
SPLASH splash10-0a4i-0910000000-06ec04cd1d68b2a0ff67
Source of Spectrum ASC-355-584-3o
Wiley ID 1761875