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1-ISOCYANATO-1-PHENYL-2,2,2-TRIFLUOROETHYL 4-BROMOBENZOATE
SpectraBase Compound ID 3arnWaEtyhR
InChI InChI=1S/C16H9BrF3NO3/c17-13-8-6-11(7-9-13)14(23)24-15(21-10-22,16(18,19)20)12-4-2-1-3-5-12/h1-9H
InChIKey CULKIWFNPXOSTD-UHFFFAOYSA-N
Mol Weight 400.15 g/mol
Molecular Formula C16H9BrF3NO3
Exact Mass 398.971791 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7APZrj6cuu
Name 1-ISOCYANATO-1-PHENYL-2,2,2-TRIFLUOROETHYL 4-BROMOBENZOATE
Comments ;BS-467 (TESLA)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H9BrF3NO3
InChI InChI=1S/C16H9BrF3NO3/c17-13-8-6-11(7-9-13)14(23)24-15(21-10-22,16(18,19)20)12-4-2-1-3-5-12/h1-9H
InChIKey CULKIWFNPXOSTD-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.O.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