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5-Acetyl-6-methyl-3-(2-trifluoromethyl-phenyl)-3,4-dihydro-2H-pyran-2-one
SpectraBase Compound ID 1k2LzoUjz0N
InChI InChI=1S/C15H13F3O3/c1-8(19)11-7-12(14(20)21-9(11)2)10-5-3-4-6-13(10)15(16,17)18/h3-6,12H,7H2,1-2H3
InChIKey CMIYGBPQTQPTNB-UHFFFAOYSA-N
Mol Weight 298.26 g/mol
Molecular Formula C15H13F3O3
Exact Mass 298.081679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSgwWsqishS
Name 5-Acetyl-6-methyl-3-(2-trifluoromethyl-phenyl)-3,4-dihydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F3O3
InChI InChI=1S/C15H13F3O3/c1-8(19)11-7-12(14(20)21-9(11)2)10-5-3-4-6-13(10)15(16,17)18/h3-6,12H,7H2,1-2H3
InChIKey CMIYGBPQTQPTNB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070231b
Molecular Weight 298.261 g/mol
SMILES C1(=O)C(c2ccccc2C(F)(F)F)CC(=C(O1)C)C(=O)C
SPLASH splash10-0079-0910000000-8c3c88dc7cd77a8dd59b
Source of Spectrum A1-9-1647/SMS6-3l
Synonyms 5-Acetyl-6-methyl-3-(2-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-2-one 5-Ethanoyl-6-methyl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyran-2-one
Wiley ID 1758047