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E-1,1,1-TRIFLUORO-2-(N,N-DIETHYLTHIOCARBAMOYLTHIO)-6-METHYL-2-HEPTEN-4-YNE
SpectraBase Compound ID 3Rnw0JllGDF
InChI InChI=1S/C13H18F3NS2/c1-5-17(6-2)12(18)19-11(13(14,15)16)9-7-8-10(3)4/h9-10H,5-6H2,1-4H3/b11-9+
InChIKey YFLRCGSCUZJKFP-PKNBQFBNSA-N
Mol Weight 309.41 g/mol
Molecular Formula C13H18F3NS2
Exact Mass 309.083276 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADOrupjVKF3
Name E-1,1,1-TRIFLUORO-2-(N,N-DIETHYLTHIOCARBAMOYLTHIO)-6-METHYL-2-HEPTEN-4-YNE
Comments ;RA-2306 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18F3NS2
InChI InChI=1S/C13H18F3NS2/c1-5-17(6-2)12(18)19-11(13(14,15)16)9-7-8-10(3)4/h9-10H,5-6H2,1-4H3/b11-9+
InChIKey YFLRCGSCUZJKFP-PKNBQFBNSA-N
Instrument Name SEE COMMENT
Literature Reference N.P.STEPANOVA, N.YA.KUZ'MINA, E.S.TURBANOVA, M.L.PETROV (1986)Zhurn.Org.Khim.(Russ. Lang.): v.22, N9, 1857-1861.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported