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3-Hydroxy-5-phenyl-1-(thiophen-2-yl)-3-(trifluoromethyl)-pent-4-yn-1-one
SpectraBase Compound ID D0zOMrKdQPV
InChI InChI=1S/C16H11F3O2S/c17-16(18,19)15(21,9-8-12-5-2-1-3-6-12)11-13(20)14-7-4-10-22-14/h1-7,10,21H,11H2
InChIKey VOLMFRLGJKWHAT-UHFFFAOYSA-N
Mol Weight 324.32 g/mol
Molecular Formula C16H11F3O2S
Exact Mass 324.043185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cLxwodXRA
Name 3-Hydroxy-5-phenyl-1-(thiophen-2-yl)-3-(trifluoromethyl)-pent-4-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3O2S
InChI InChI=1S/C16H11F3O2S/c17-16(18,19)15(21,9-8-12-5-2-1-3-6-12)11-13(20)14-7-4-10-22-14/h1-7,10,21H,11H2
InChIKey VOLMFRLGJKWHAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 324.317 g/mol
SMILES OC(CC(=O)c1sccc1)(C#Cc1ccccc1)C(F)(F)F
SPLASH splash10-03fr-0910000000-c1e41f88ffd50c3f4fb2
Source of Spectrum ASC-355-583-3e
Synonyms 3-Hydroxy-5-phenyl-1-(thiophen-2-yl)-3-(trifluoromethyl)pent-4-yn-1-one
Wiley ID 1761866