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ETHYL ALPHA-(BENZYLTHIO)-ALPHA-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCT-1-YLTHIO)ACETATE
SpectraBase Compound ID B8YyyYMQOHI
InChI InChI=1S/C19H17F13O2S2/c1-2-34-12(33)13(36-10-11-6-4-3-5-7-11)35-9-8-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h3-7,13H,2,8-10H2,1H3
InChIKey HFWALFYSEIDZKD-UHFFFAOYSA-N
Mol Weight 588.44 g/mol
Molecular Formula C19H17F13O2S2
Exact Mass 588.046238 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gz2gQ3dShPN
Name ETHYL ALPHA-(BENZYLTHIO)-ALPHA-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCT-1-YLTHIO)ACETATE
Comments NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17F13O2S2
InChI InChI=1S/C19H17F13O2S2/c1-2-34-12(33)13(36-10-11-6-4-3-5-7-11)35-9-8-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h3-7,13H,2,8-10H2,1H3
InChIKey HFWALFYSEIDZKD-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference S.Y.DIENG, L.ROMAN, F.SZONYI, A.CAMBON (1991) J.Fluor.Chem.: v.51, N2, 155-164.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d