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ETHYL ALPHA-(PHENYLTHIO)-ALPHA-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCT-1-YLTHIO)ACETATE
SpectraBase Compound ID GXGxgucOnAk
InChI InChI=1S/C18H15F13O2S2/c1-2-33-11(32)12(35-10-6-4-3-5-7-10)34-9-8-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3-7,12H,2,8-9H2,1H3
InChIKey RQYYVQWDRAGKHC-UHFFFAOYSA-N
Mol Weight 574.42 g/mol
Molecular Formula C18H15F13O2S2
Exact Mass 574.030588 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gj4br0ERbsH
Name ETHYL ALPHA-(PHENYLTHIO)-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 C18H15F13O2S2
InChI InChI=1S/C18H15F13O2S2/c1-2-33-11(32)12(35-10-6-4-3-5-7-10)34-9-8-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3-7,12H,2,8-9H2,1H3
InChIKey RQYYVQWDRAGKHC-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