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3,3-Bis[4-(trifluoromethyl)phenyl]chroman-4-one
SpectraBase Compound ID T8BvniuGpM
InChI InChI=1S/C23H14F6O2/c24-22(25,26)16-9-5-14(6-10-16)21(15-7-11-17(12-8-15)23(27,28)29)13-31-19-4-2-1-3-18(19)20(21)30/h1-12H,13H2
InChIKey HFSVNUDTKPRMFB-UHFFFAOYSA-N
Mol Weight 436.35 g/mol
Molecular Formula C23H14F6O2
Exact Mass 436.089799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzxKU0UReal
Name 3,3-Bis[4-(trifluoromethyl)phenyl]chroman-4-one
Alternate Name(s) 3,3-bis[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14F6O2
InChI InChI=1S/C23H14F6O2/c24-22(25,26)16-9-5-14(6-10-16)21(15-7-11-17(12-8-15)23(27,28)29)13-31-19-4-2-1-3-18(19)20(21)30/h1-12H,13H2
InChIKey HFSVNUDTKPRMFB-UHFFFAOYSA-N
Molecular Weight 436.353 g/mol
SMILES C1(C(COc2c1cccc2)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)=O
SPLASH splash10-00di-1910100000-10db3c5892b01bc610f1
Source of Spectrum U1-2010-1343-4b
Wiley ID 1663490