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3-Hydroxy-1-(thiophen-2-yl)-3-(trifluoromethyl)dec-4-yn-1-one
SpectraBase Compound ID 2oPmbVyO2ua
InChI InChI=1S/C15H17F3O2S/c1-2-3-4-5-6-9-14(20,15(16,17)18)11-12(19)13-8-7-10-21-13/h7-8,10,20H,2-5,11H2,1H3
InChIKey CCTJRBGLEZFFLU-UHFFFAOYSA-N
Mol Weight 318.35 g/mol
Molecular Formula C15H17F3O2S
Exact Mass 318.090135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6b0AspGJzAW
Name 3-Hydroxy-1-(thiophen-2-yl)-3-(trifluoromethyl)dec-4-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17F3O2S
InChI InChI=1S/C15H17F3O2S/c1-2-3-4-5-6-9-14(20,15(16,17)18)11-12(19)13-8-7-10-21-13/h7-8,10,20H,2-5,11H2,1H3
InChIKey CCTJRBGLEZFFLU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 318.354 g/mol
SMILES OC(CC(=O)c1sccc1)(C#CCCCCC)C(F)(F)F
SPLASH splash10-0006-0290000000-4dbcf112b756ca558821
Source of Spectrum ASC-355-583-3g
Wiley ID 1761867