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(E)-3-(4-Trifluoromethyl)-1-(2-methyl-4-phenylquinol-3-yl)prop-2-en-1-one
SpectraBase Compound ID 9dK615M7Ng8
InChI InChI=1S/C26H18F3NO/c1-17-24(23(31)16-13-18-11-14-20(15-12-18)26(27,28)29)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)30-17/h2-16H,1H3/b16-13+
InChIKey CEBGSLSEUBSMJM-DTQAZKPQSA-N
Mol Weight 417.43 g/mol
Molecular Formula C26H18F3NO
Exact Mass 417.134049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lAZMUMDLEu
Name (E)-3-(4-Trifluoromethyl)-1-(2-methyl-4-phenylquinol-3-yl)prop-2-en-1-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.134048692 u
Formula C26H18F3NO
InChI InChI=1S/C26H18F3NO/c1-17-24(23(31)16-13-18-11-14-20(15-12-18)26(27,28)29)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)30-17/h2-16H,1H3/b16-13+
InChIKey CEBGSLSEUBSMJM-DTQAZKPQSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900880
Molecular Weight 417.431 g/mol
Quality 37
Reported Formula C26H21F3NO
SMILES C1(\C=C\C(=O)C=2C(=NC3=C(C2C2=CC=CC=C2)C=CC=C3)C)=CC=C(C=C1)C(F)(F)F
SPLASH splash10-0a4i-0190200000-a221cebc390ac4006f18
Source of Spectrum K1-2019-4938-7d (DOI: 10.1002/ejoc.201900880)
Wiley ID 1892023