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1-ISOCYANATO-1-PHENYL-2,2,2-TRIFLUOROETHYL BENZOATE
SpectraBase Compound ID CxFD3qnsaPC
InChI InChI=1S/C16H10F3NO3/c17-16(18,19)15(20-11-21,13-9-5-2-6-10-13)23-14(22)12-7-3-1-4-8-12/h1-10H
InChIKey NYTGTYMLBNZRIR-UHFFFAOYSA-N
Mol Weight 321.26 g/mol
Molecular Formula C16H10F3NO3
Exact Mass 321.061278 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cbl29oT0UBc
Name 1-ISOCYANATO-1-PHENYL-2,2,2-TRIFLUOROETHYL BENZOATE
Comments ;BS-467 (TESLA)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H10F3NO3
InChI InChI=1S/C16H10F3NO3/c17-16(18,19)15(20-11-21,13-9-5-2-6-10-13)23-14(22)12-7-3-1-4-8-12/h1-10H
InChIKey NYTGTYMLBNZRIR-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