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ALPHA-TRIFLUOROMETHYL-ALPHA-(4-CHLOROPHENYLTHIO)BENZYLISOCYANATE
SpectraBase Compound ID Bu4Vfl4DOex
InChI InChI=1S/C15H9ClF3NOS/c16-12-6-8-13(9-7-12)22-14(20-10-21,15(17,18)19)11-4-2-1-3-5-11/h1-9H
InChIKey PFVCMFPASHHLFS-UHFFFAOYSA-N
Mol Weight 343.75 g/mol
Molecular Formula C15H9ClF3NOS
Exact Mass 343.004547 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvyteBaovcz
Name ALPHA-TRIFLUOROMETHYL-ALPHA-(4-CHLOROPHENYLTHIO)BENZYLISOCYANATE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H9ClF3NOS
InChI InChI=1S/C15H9ClF3NOS/c16-12-6-8-13(9-7-12)22-14(20-10-21,15(17,18)19)11-4-2-1-3-5-11/h1-9H
InChIKey PFVCMFPASHHLFS-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1988) Zhurn.Org.Khim.(Russ. Lang.): v.24,N4, 727-732.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d