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4-[(4-METHYLPHENYL)-THIO]-4-PHENYL-1,1,1-TRIFLUORO-2-BUTANONE
SpectraBase Compound ID 7w6xO7nLtjl
InChI InChI=1S/C17H15F3OS/c1-12-7-9-14(10-8-12)22-15(11-16(21)17(18,19)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey JAHKQPJPQTYVFR-UHFFFAOYSA-N
Mol Weight 324.36 g/mol
Molecular Formula C17H15F3OS
Exact Mass 324.079571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BQRvnAn7nw
Name 4-[(4-METHYLPHENYL)-THIO]-4-PHENYL-1,1,1-TRIFLUORO-2-BUTANONE
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15F3OS
InChI InChI=1S/C17H15F3OS/c1-12-7-9-14(10-8-12)22-15(11-16(21)17(18,19)20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey JAHKQPJPQTYVFR-UHFFFAOYSA-N
Literature Reference Author V.G.NENAJDENKO,A.V.SANIN,A.V.CHURAKOV,J.A.K.HOWARD,E.S.BALEN KOVA
Literature Reference Citation CHEM.HET.COMP.,35,549(1999)
Literature Reference DOI 10.1007/bf02324637
Molecular Weight 324.361 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ15212