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1,1-DIPHENYLTHIO-2,2,2-TRIFLUOROETHYL ISOCYANATE
SpectraBase Compound ID 8u2TeBbJybW
InChI InChI=1S/C15H10F3NOS2/c16-14(17,18)15(19-11-20,21-12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-10H
InChIKey BYTCQZLSPIUMKL-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C15H10F3NOS2
Exact Mass 341.015591 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4G8iORKsrEM
Name 1,1-DIPHENYLTHIO-2,2,2-TRIFLUOROETHYL ISOCYANATE
Comments SCALE INVERTED;WP-200 (BRUKER)
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Formula C15H10F3NOS2
InChI InChI=1S/C15H10F3NOS2/c16-14(17,18)15(19-11-20,21-12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-10H
InChIKey BYTCQZLSPIUMKL-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference L.I.SAMARAI, V.I.BOIKO, M.N.GERTSYUK (1990) Zhurn.Org.Khim.(Russ. Lang.): v.26,N4, 745-749.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D3N acetonitrile-d