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3-(5H-DECAFLUOROPENTYL)-5-PHENYL-1,2,5-THIADIAZOLIN-2-THIONE-4
SpectraBase Compound ID LjAsRGG4Ksz
InChI InChI=1S/C13H6F10N2S2/c14-9(15)11(18,19)13(22,23)12(20,21)10(16,17)7-8(26)25(27-24-7)6-4-2-1-3-5-6/h1-5,9H
InChIKey XFFIMJLAOLXDJB-UHFFFAOYSA-N
Mol Weight 444.31 g/mol
Molecular Formula C13H6F10N2S2
Exact Mass 443.981272 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OMwdtU5wD8
Name 3-(5H-DECAFLUOROPENTYL)-5-PHENYL-1,2,5-THIADIAZOLIN-2-THIONE-4
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H6F10N2S2
InChI InChI=1S/C13H6F10N2S2/c14-9(15)11(18,19)13(22,23)12(20,21)10(16,17)7-8(26)25(27-24-7)6-4-2-1-3-5-6/h1-5,9H
InChIKey XFFIMJLAOLXDJB-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference L.N.MARKOVSKY, T.N.DUBININA, G.G.BARASHENKOV, E.A.ROMANENKO, YU.G.SHERMOLOVICH(1993) Zhurn.Org.Khim.(Russ. Lang.): v.29, N3, 491-501.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d