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1-ISOCYANATO-1-(4-METHYLPHENYL)-2,2,2-TRIFLUOROETHYL 4-BROMOBENZOATE
SpectraBase Compound ID LAdVIFLCV5N
InChI InChI=1S/C17H11BrF3NO3/c1-11-2-6-13(7-3-11)16(22-10-23,17(19,20)21)25-15(24)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKey HWKVMXFEGRDZGW-UHFFFAOYSA-N
Mol Weight 414.18 g/mol
Molecular Formula C17H11BrF3NO3
Exact Mass 412.987441 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CO7LVXLqVuy
Name 1-ISOCYANATO-1-(4-METHYLPHENYL)-2,2,2-TRIFLUOROETHYL 4-BROMOBENZOATE
Comments ;BS-467 (TESLA)
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Formula C17H11BrF3NO3
InChI InChI=1S/C17H11BrF3NO3/c1-11-2-6-13(7-3-11)16(22-10-23,17(19,20)21)25-15(24)12-4-8-14(18)9-5-12/h2-9H,1H3
InChIKey HWKVMXFEGRDZGW-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1987) Zhurn.Org.Khim.(Russ. Lang.): v.23,N5, 1112-1114.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl