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1-ISOCYANATO-1-(4-METHYLPHENYL)-2,2,2-TRIFLUOROETHYL BENZOATE
SpectraBase Compound ID 6Ho97nTrLda
InChI InChI=1S/C17H12F3NO3/c1-12-7-9-14(10-8-12)16(21-11-22,17(18,19)20)24-15(23)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey OFEWYQNNIDKBFS-UHFFFAOYSA-N
Mol Weight 335.28 g/mol
Molecular Formula C17H12F3NO3
Exact Mass 335.076928 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CNBUyTT0A0
Name 1-ISOCYANATO-1-(4-METHYLPHENYL)-2,2,2-TRIFLUOROETHYL BENZOATE
Comments ;BS-467 (TESLA)
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Formula C17H12F3NO3
InChI InChI=1S/C17H12F3NO3/c1-12-7-9-14(10-8-12)16(21-11-22,17(18,19)20)24-15(23)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey OFEWYQNNIDKBFS-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