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4-Methyl-3,5-bis(3-trifluoromethyl)phenyl]pent-3-en-2-one
SpectraBase Compound ID C9u2eHVPDKO
InChI InChI=1S/C20H16F6O/c1-12(9-14-5-3-7-16(10-14)19(21,22)23)18(13(2)27)15-6-4-8-17(11-15)20(24,25)26/h3-8,10-11H,9H2,1-2H3/b18-12+
InChIKey JSXMKQKPQGTFJV-LDADJPATSA-N
Mol Weight 386.34 g/mol
Molecular Formula C20H16F6O
Exact Mass 386.110534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNAPiDJFb2w
Name 4-Methyl-3,5-bis(3-trifluoromethyl)phenyl]pent-3-en-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16F6O
InChI InChI=1S/C20H16F6O/c1-12(9-14-5-3-7-16(10-14)19(21,22)23)18(13(2)27)15-6-4-8-17(11-15)20(24,25)26/h3-8,10-11H,9H2,1-2H3/b18-12+
InChIKey JSXMKQKPQGTFJV-LDADJPATSA-N
Molecular Weight 386.337 g/mol
SMILES c1(\C(=C\(Cc2cc(C(F)(F)F)ccc2)C)C(=O)C)cc(C(F)(F)F)ccc1
SPLASH splash10-059i-0927000000-90de2d2726c569264fc9
Source of Spectrum SO-0-1654-2
Wiley ID 877020