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Perfluoro-[2-methyl-1-propene-1-thiocyanate]
SpectraBase Compound ID 432rjasgu5t
InChI InChI=1S/C5F7NS/c6-3(14-1-13)2(4(7,8)9)5(10,11)12
InChIKey CEJLMOIFBOORLH-UHFFFAOYSA-N
Mol Weight 239.11 g/mol
Molecular Formula C5F7NS
Exact Mass 238.963967 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OaNQ1cyfAE
Name PERFLUORO-2-METHYL-1-PROPENYLTHIOCYANATE-1
Comments CIS AND TRANS CF3 WERE ASSIGNED EXACTLY. SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5F7NS
InChI InChI=1S/C5F7NS/c6-3(14-1-13)2(4(7,8)9)5(10,11)12
InChIKey CEJLMOIFBOORLH-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.YA.POPKOVA, E.I.MYSOV, M.V.GALAKHOV, V.K.OSMANOV, L.S.GERMAN (1990)Izv.Akad.Nauk SSSR(Russ. Lang.): N12, 2862-2865.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl