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(Z)-1,1,1-TRIFLUORO-3-(METHYLTHIO)-4-PHENYLBUT-3-EN-2-ONE
SpectraBase Compound ID 6uTPlby5lx4
InChI InChI=1S/C11H9F3OS/c1-16-9(10(15)11(12,13)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKey KANGUBDBHFNUCB-CLFYSBASSA-N
Mol Weight 246.25 g/mol
Molecular Formula C11H9F3OS
Exact Mass 246.032621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEZJYMNukTT
Name (Z)-1,1,1-TRIFLUORO-3-(METHYLTHIO)-4-PHENYLBUT-3-EN-2-ONE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9F3OS
InChI InChI=1S/C11H9F3OS/c1-16-9(10(15)11(12,13)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7-
InChIKey KANGUBDBHFNUCB-CLFYSBASSA-N
Literature Reference Author M.YOSHIMATSU,T.SUGIMOTO,N.OKADA,S.KINOSHITA
Literature Reference Citation J.ORG.CHEM.,64,5162(1999)
Literature Reference DOI 10.1021/jo990282p
Molecular Weight 246.247 g/mol
Sample ID 41132
Solvent CDCl3