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1,3-DIOXA-2-THIA-4,4,5,6,7,7-HEXAFLUOROCYCLOHEPT-5-ENE
SpectraBase Compound ID KJpiFa947tk
InChI InChI=1S/C4F6O2S/c5-1-2(6)4(9,10)12-13-11-3(1,7)8
InChIKey VWPHBNDSAGBMIG-UHFFFAOYSA-N
Mol Weight 226.09 g/mol
Molecular Formula C4F6O2S
Exact Mass 225.952319 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GnUNAgzPiRM
Name 1,3-DIOXA-2-THIA-4,4,5,6,7,7-HEXAFLUOROCYCLOHEPT-5-ENE
Comments SCALE INVERTED;H-60 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4F6O2S
InChI InChI=1S/C4F6O2S/c5-1-2(6)4(9,10)12-13-11-3(1,7)8
InChIKey VWPHBNDSAGBMIG-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.B.KAZ'MINA, I.L.KNUNYANTS, E.I.MYSOEV, G.M.KUZ'YANTS (1978) Izv.Akad.NaukSSSR(Russ. Lang.): N1, 163-171.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported