John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12EVxjvgGQZ SpectraBase Spectrum ID=JnihO26TCIP

(accessed ).
(E)-3-ETHOXY-1,1,1,2,2-PENTAFLUORO-6,6-DIMETHYL-4-(PHENYLTHIO)-HEPT-3-EN-5-OL
SpectraBase Compound ID 12EVxjvgGQZ
InChI InChI=1S/C17H21F5O2S/c1-5-24-14(16(18,19)17(20,21)22)12(13(23)15(2,3)4)25-11-9-7-6-8-10-11/h6-10,13,23H,5H2,1-4H3/b14-12+
InChIKey FXNARAFEVGTBAU-WYMLVPIESA-N
Mol Weight 384.41 g/mol
Molecular Formula C17H21F5O2S
Exact Mass 384.118243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnihO26TCIP
Name (E)-3-ETHOXY-1,1,1,2,2-PENTAFLUORO-6,6-DIMETHYL-4-(PHENYLTHIO)-HEPT-3-EN-5-OL
Compound Number 6A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21F5O2S
InChI InChI=1S/C17H21F5O2S/c1-5-24-14(16(18,19)17(20,21)22)12(13(23)15(2,3)4)25-11-9-7-6-8-10-11/h6-10,13,23H,5H2,1-4H3/b14-12+
InChIKey FXNARAFEVGTBAU-WYMLVPIESA-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 384.405 g/mol
Sample ID 41146
Solvent CDCl3
SpectraBase Batch ID 59snLSBpehe