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(E)-3-ETHOXY-1,1,1,2,2-PENTAFLUORO-7-PHENYL-4-(PHENYLTHIO)-HEPT-3-EN-6-YN-5-OL
SpectraBase Compound ID 8P0VQWSONFH
InChI InChI=1S/C21H17F5O2S/c1-2-28-19(20(22,23)21(24,25)26)18(29-16-11-7-4-8-12-16)17(27)14-13-15-9-5-3-6-10-15/h3-12,17,27H,2H2,1H3/b19-18+
InChIKey QCOVLUBGKXOUBG-VHEBQXMUSA-N
Mol Weight 428.42 g/mol
Molecular Formula C21H17F5O2S
Exact Mass 428.086942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8hA25gv4TFs
Name (E)-3-ETHOXY-1,1,1,2,2-PENTAFLUORO-7-PHENYL-4-(PHENYLTHIO)-HEPT-3-EN-6-YN-5-OL
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17F5O2S
InChI InChI=1S/C21H17F5O2S/c1-2-28-19(20(22,23)21(24,25)26)18(29-16-11-7-4-8-12-16)17(27)14-13-15-9-5-3-6-10-15/h3-12,17,27H,2H2,1H3/b19-18+
InChIKey QCOVLUBGKXOUBG-VHEBQXMUSA-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 428.417 g/mol
Sample ID 41148
Solvent CDCl3