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(E)-2-ETHOXY-1,1,1-TRIFLUORO-7,7-DIMETHYL-3-(PHENYLTHIO)-OCT-2-EN-7-YN-4-OL
SpectraBase Compound ID FmyXxWQGEm6
InChI InChI=1S/C18H21F3O2S/c1-5-23-16(18(19,20)21)15(14(22)11-12-17(2,3)4)24-13-9-7-6-8-10-13/h6-10,14,22H,5H2,1-4H3/b16-15+
InChIKey BHJXPJBHXDAYJN-FOCLMDBBSA-N
Mol Weight 358.42 g/mol
Molecular Formula C18H21F3O2S
Exact Mass 358.121436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrTIZWdiH5h
Name (E)-2-ETHOXY-1,1,1-TRIFLUORO-7,7-DIMETHYL-3-(PHENYLTHIO)-OCT-2-EN-7-YN-4-OL
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3O2S
InChI InChI=1S/C18H21F3O2S/c1-5-23-16(18(19,20)21)15(14(22)11-12-17(2,3)4)24-13-9-7-6-8-10-13/h6-10,14,22H,5H2,1-4H3/b16-15+
InChIKey BHJXPJBHXDAYJN-FOCLMDBBSA-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 358.419 g/mol
Sample ID 41144
Solvent CDCl3