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ETHYL ALPHA-METHOXY-ALPHA-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCT-1-YLTHIO)ACETATE
SpectraBase Compound ID AvaDgaYR6CY
InChI InChI=1S/C13H13F13O3S/c1-3-29-6(27)7(28-2)30-5-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h7H,3-5H2,1-2H3
InChIKey FJIMHWQYOXJOIW-UHFFFAOYSA-N
Mol Weight 496.28 g/mol
Molecular Formula C13H13F13O3S
Exact Mass 496.037782 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gtiethpn0EL
Name ETHYL ALPHA-METHOXY-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 C13H13F13O3S
InChI InChI=1S/C13H13F13O3S/c1-3-29-6(27)7(28-2)30-5-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h7H,3-5H2,1-2H3
InChIKey FJIMHWQYOXJOIW-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 not reported
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported